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\n \n 2023\n \n \n (2)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Artificial intelligence systems for the design of magic shotgun drugs.\n \n \n \n \n\n\n \n Moreira-Filho, J. T.; da Silva, M. F. B.; Borba, J. V. V. B.; Filho, A. R. G.; Muratov, E. N; Andrade, C. H.; de Campos Braga, R.; and Neves, B. J.\n\n\n \n\n\n\n Artificial Intelligence in the Life Sciences, 3: 100055. dec 2023.\n \n\n\n\n
\n\n\n\n \n \n $\"Artificial$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n \n \n 3 downloads\n \n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Moreira_Filho_2023,\tdoi = {10.1016/j.ailsci.2022.100055},\turl = {https://doi.org/10.1016%2Fj.ailsci.2022.100055},\tyear = 2023,\tmonth = {dec},\tpublisher = {Elsevier {BV}},\tvolume = {3},\tpages = {100055},\tauthor = {Jos{\\'{e}} Te{\\'{o}}filo Moreira-Filho and Meryck Felipe Brito da Silva and Joyce Villa Verde Bastos Borba and Arlindo Rodrigues Galv{\\~{a}}o Filho and Eugene N Muratov and Carolina Horta Andrade and Rodolpho de Campos Braga and Bruno Junior Neves},\ttitle = {Artificial intelligence systems for the design of magic shotgun drugs},\tjournal = {Artificial Intelligence in the Life Sciences}}

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\n \n\n \n \n \n \n \n \n Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds.\n \n \n \n \n\n\n \n Alves, V.; Yasgar, A.; Wellnitz, J.; Bantukallu, G.; Rath, M.; Braga, R.; Capuzzi, S.; Simeonov, A.; Muratov, E.; Zakharov, A.; and Tropsha, A.\n\n\n \n\n\n\n . feb 2023.\n \n\n\n\n
\n\n\n\n \n \n $\"Lies$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2023,\tdoi = {10.26434/chemrxiv-2023-r78sj},\turl = {https://doi.org/10.26434%2Fchemrxiv-2023-r78sj},\tyear = 2023,\tmonth = {feb},\tpublisher = {American Chemical Society ({ACS})},\tauthor = {Vinicius Alves and Adam Yasgar and James Wellnitz and Ganesha Bantukallu and Marielle Rath and Rodolpho Braga and Stephen Capuzzi and Anton Simeonov and Eugene Muratov and Alexey Zakharov and Alexander Tropsha},\ttitle = {Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds.}}

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\n \n 2022\n \n \n (3)\n \n \n

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\n \n\n \n \n \n \n \n \n PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices.\n \n \n \n \n\n\n \n Alves, V. M; Borba, J. V B; Braga, R. C; Korn, D. R; Kleinstreuer, N.; Causey, K.; Tropsha, A.; Rua, D.; and Muratov, E. N\n\n\n \n\n\n\n Toxicological Sciences, 189(2): 250–259. aug 2022.\n \n\n\n\n
\n\n\n\n \n \n $\"PreS/MD:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n \n \n 2 downloads\n \n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2022,\tdoi = {10.1093/toxsci/kfac078},\turl = {https://doi.org/10.1093%2Ftoxsci%2Fkfac078},\tyear = 2022,\tmonth = {aug},\tpublisher = {Oxford University Press ({OUP})},\tvolume = {189},\tnumber = {2},\tpages = {250--259},\tauthor = {Vinicius M Alves and Joyce V B Borba and Rodolpho C Braga and Daniel R Korn and Nicole Kleinstreuer and Kevin Causey and Alexander Tropsha and Diego Rua and Eugene N Muratov},\ttitle = {{PreS}/{MD}: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices},\tjournal = {Toxicological Sciences}}

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\n \n\n \n \n \n \n \n \n STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity.\n \n \n \n \n\n\n \n Borba, J. V.; Alves, V. M.; Braga, R. C.; Korn, D. R.; Overdahl, K.; Silva, A. C.; Hall, S. U.; Overdahl, E.; Kleinstreuer, N.; Strickland, J.; Allen, D.; Andrade, C. H.; Muratov, E. N.; and Tropsha, A.\n\n\n \n\n\n\n Environmental Health Perspectives, 130(2). feb 2022.\n \n\n\n\n
\n\n\n\n \n \n $\"STopTox:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Borba_2022,\tdoi = {10.1289/ehp9341},\turl = {https://doi.org/10.1289%2Fehp9341},\tyear = 2022,\tmonth = {feb},\tpublisher = {Environmental Health Perspectives},\tvolume = {130},\tnumber = {2},\tauthor = {Joyce V.B. Borba and Vinicius M. Alves and Rodolpho C. Braga and Daniel R. Korn and Kirsten Overdahl and Arthur C. Silva and Steven U.S. Hall and Erik Overdahl and Nicole Kleinstreuer and Judy Strickland and David Allen and Carolina Horta Andrade and Eugene N. Muratov and Alexander Tropsha},\ttitle = {STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity},\tjournal = {Environmental Health Perspectives}}

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\n \n\n \n \n \n \n \n \n PreSS/MD: Predictor of Skin Sensitization Caused by Chemicals Leaching from Medical Devices.\n \n \n \n \n\n\n \n Borba, J.; Alves, V.; Braga, R.; Korn, D.; Kleinstreuer, N.; Causey, K.; Tropsha, A.; Rua, D.; and Muratov, E.\n\n\n \n\n\n\n . jan 2022.\n \n\n\n\n
\n\n\n\n \n \n $\"PreSS/MD:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Borba_2022,\tdoi = {10.26434/chemrxiv-2022-z53kg},\turl = {https://doi.org/10.26434%2Fchemrxiv-2022-z53kg},\tyear = 2022,\tmonth = {jan},\tpublisher = {American Chemical Society ({ACS})},\tauthor = {Joyce Borba and Vinicius Alves and Rodolpho Braga and Daniel Korn and Nicole Kleinstreuer and Kevin Causey and Alexander Tropsha and Diego Rua and Eugene Muratov},\ttitle = {{PreSS}/{MD}: Predictor of Skin Sensitization Caused by Chemicals Leaching from Medical Devices}}

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\n \n 2021\n \n \n (3)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n BeeToxAI: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees.\n \n \n \n \n\n\n \n Moreira-Filho, J. T.; Braga, R. C.; Lemos, J. M.; Alves, V. M.; Borba, J. V.; Costa, W. S.; Kleinstreuer, N.; Muratov, E. N.; Andrade, C. H.; and Neves, B. J.\n\n\n \n\n\n\n Artificial Intelligence in the Life Sciences, 1: 100013. dec 2021.\n \n\n\n\n
\n\n\n\n \n \n $\"BeeToxAI:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Moreira_Filho_2021,\tdoi = {10.1016/j.ailsci.2021.100013},\turl = {https://doi.org/10.1016%2Fj.ailsci.2021.100013},\tyear = 2021,\tmonth = {dec},\tpublisher = {Elsevier {BV}},\tvolume = {1},\tpages = {100013},\tauthor = {Jos{\\'{e}} T. Moreira-Filho and Rodolpho C. Braga and Jade Milhomem Lemos and Vinicius M. Alves and Joyce V.V.B. Borba and Wesley S. Costa and Nicole Kleinstreuer and Eugene N. Muratov and Carolina Horta Andrade and Bruno J. Neves},\ttitle = {{BeeToxAI}: An artificial intelligence-based web app to assess acute toxicity of chemicals to honey bees},\tjournal = {Artificial Intelligence in the Life Sciences}}

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\n \n\n \n \n \n \n \n \n Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products.\n \n \n \n \n\n\n \n Santana, K.; do Nascimento, L. D.; e Lima, A. L.; Damasceno, V.; Nahum, C.; Braga, R. C.; and Lameira, J.\n\n\n \n\n\n\n Frontiers in Chemistry, 9. apr 2021.\n \n\n\n\n
\n\n\n\n \n \n $\"Applications$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Santana_2021,\tdoi = {10.3389/fchem.2021.662688},\turl = {https://doi.org/10.3389%2Ffchem.2021.662688},\tyear = 2021,\tmonth = {apr},\tpublisher = {Frontiers Media {SA}},\tvolume = {9},\tauthor = {Kau{\\^{e}} Santana and Lidiane Diniz do Nascimento and Anderson Lima e Lima and Vin{\\'{\\i}}cius Damasceno and Claudio Nahum and Rodolpho C. Braga and Jer{\\^{o}}nimo Lameira},\ttitle = {Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products},\tjournal = {Frontiers in Chemistry}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n \n Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery.\n \n \n \n \n\n\n \n Neves, B.; Moreira-Filho, J.; Silva, A.; Borba, J.; Mottin, M.; Alves, V.; Braga, R.; Muratov, E.; and Andrade, C.\n\n\n \n\n\n\n Journal of the Brazilian Chemical Society. 2021.\n \n\n\n\n
\n\n\n\n \n \n $\"Automated$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2021,\tdoi = {10.21577/0103-5053.20200160},\turl = {https://doi.org/10.21577%2F0103-5053.20200160},\tyear = 2021,\tpublisher = {Sociedade Brasileira de Quimica ({SBQ})},\tauthor = {Bruno Neves and Jos{\\'{e}} Moreira-Filho and Arthur Silva and Joyce Borba and Melina Mottin and Vinicius Alves and Rodolpho Braga and Eugene Muratov and Carolina Andrade},\ttitle = {Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery},\tjournal = {Journal of the Brazilian Chemical Society}}

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\n\n

\n \n 2020\n \n \n (6)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers.\n \n \n \n \n\n\n \n Borba, J. V. B.; Braga, R. C.; Alves, V. M.; Muratov, E. N.; Kleinstreuer, N.; Tropsha, A.; and Andrade, C. H.\n\n\n \n\n\n\n Chemical Research in Toxicology, 34(2): 258–267. jul 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"Pred-Skin:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Borba_2020,\n\tdoi = {10.1021/acs.chemrestox.0c00186},\n\turl = {https://doi.org/10.1021%2Facs.chemrestox.0c00186},\n\tyear = 2020,\n\tmonth = {jul},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {34},\n\tnumber = {2},\n\tpages = {258--267},\n\tauthor = {Joyce V. B. Borba and Rodolpho C. Braga and Vinicius M. Alves and Eugene N. Muratov and Nicole Kleinstreuer and Alexander Tropsha and Carolina Horta Andrade},\n\ttitle = {Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers},\n\tjournal = {Chemical Research in Toxicology}\n}

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\n\n\n

\n \n\n \n \n \n \n \n \n STopTox: An In-Silico Alternative to Animal Testing for Acute Systemic and TOPical TOXicity.\n \n \n \n \n\n\n \n Borba, J. V. V. B.; Alves, V.; Braga, R.; Korn, D.; Overdahl, K.; Silva, A. C.; Hall, S.; Overdahl, E.; Strickland, J.; Allen, D.; Kleinstreuer, N.; Andrade, C.; Muratov, E.; and Tropsha, A.\n\n\n \n\n\n\n . nov 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"STopTox:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Borba_2020,\n\tdoi = {10.26434/chemrxiv.13283930.v1},\n\turl = {https://doi.org/10.26434%2Fchemrxiv.13283930.v1},\n\tyear = 2020,\n\tmonth = {nov},\n\tpublisher = {American Chemical Society ({ACS})},\n\tauthor = {Joyce V. V. B. Borba and Vinicius Alves and Rodolpho Braga and Daniel Korn and Kirsten Overdahl and Arthur C. Silva and Steven Hall and Erik Overdahl and Judy Strickland and DAvid Allen and Nicole Kleinstreuer and Carolina Andrade and Eugene Muratov and Alexander Tropsha},\n\ttitle = {{STopTox}: An In-Silico Alternative to Animal Testing for Acute Systemic and {TOPical} {TOXicity}}\n}

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\n \n\n \n \n \n \n \n \n SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.\n \n \n \n \n\n\n \n Alves, V. M.; Capuzzi, S. J.; Braga, R. C.; Korn, D.; Hochuli, J. E.; Bowler, K. H.; Yasgar, A.; Rai, G.; Simeonov, A.; Muratov, E. N.; Zakharov, A. V.; and Tropsha, A.\n\n\n \n\n\n\n Journal of Chemical Information and Modeling, 60(8): 4056–4063. jul 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"SCAM$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2020,\tdoi = {10.1021/acs.jcim.0c00415},\turl = {https://doi.org/10.1021%2Facs.jcim.0c00415},\tyear = 2020,\tmonth = {jul},\tpublisher = {American Chemical Society ({ACS})},\tvolume = {60},\tnumber = {8},\tpages = {4056--4063},\tauthor = {Vinicius M. Alves and Stephen J. Capuzzi and Rodolpho C. Braga and Daniel Korn and Joshua E. Hochuli and Kyle H. Bowler and Adam Yasgar and Ganesha Rai and Anton Simeonov and Eugene N. Muratov and Alexey V. Zakharov and Alexander Tropsha},\ttitle = {{SCAM} Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules},\tjournal = {Journal of Chemical Information and Modeling}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n \n Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery.\n \n \n \n \n\n\n \n Neves, B. J.; Moreira-Filho, J. T.; Silva, A. C.; Borba, J. V. V. B.; Mottin, M.; Alves, V.; Braga, R. C.; Muratov, E.; and Andrade, C.\n\n\n \n\n\n\n . may 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"Automated$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2020,\tdoi = {10.26434/chemrxiv.12250046.v1},\turl = {https://doi.org/10.26434%2Fchemrxiv.12250046.v1},\tyear = 2020,\tmonth = {may},\tpublisher = {American Chemical Society ({ACS})},\tauthor = {Bruno J. Neves and Jos{\\'{e}} T. Moreira-Filho and Arthur C. Silva and Joyce V. V. B. Borba and Melina Mottin and Vinicius Alves and Rodolpho C. Braga and Eugene Muratov and Carolina Andrade},\ttitle = {Automated Framework for Developing Predictive Machine Learning Models for Data-Driven Drug Discovery}}

\n\n\n\n

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\n \n\n \n \n \n \n \n \n Déjà vu: Stimulating open drug discovery for SARS-CoV-2.\n \n \n \n \n\n\n \n Ekins, S.; Mottin, M.; Ramos, P. R.; Sousa, B. K.; Neves, B. J.; Foil, D. H.; Zorn, K. M.; Braga, R. C.; Coffee, M.; Southan, C.; Puhl, A. C.; and Andrade, C. H.\n\n\n \n\n\n\n Drug Discovery Today, 25(5): 928–941. may 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"Déjà$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Ekins_2020,\n\tdoi = {10.1016/j.drudis.2020.03.019},\n\turl = {https://doi.org/10.1016%2Fj.drudis.2020.03.019},\n\tyear = 2020,\n\tmonth = {may},\n\tpublisher = {Elsevier {BV}},\n\tvolume = {25},\n\tnumber = {5},\n\tpages = {928--941},\n\tauthor = {Sean Ekins and Melina Mottin and Paulo R.P.S. Ramos and Bruna K.P. Sousa and Bruno Junior Neves and Daniel H. Foil and Kimberley M. Zorn and Rodolpho C. Braga and Megan Coffee and Christopher Southan and Ana C. Puhl and Carolina Horta Andrade},\n\ttitle = {D{\\'{e}}j{\\`{a}} vu: Stimulating open drug discovery for {SARS}-{CoV}-2},\n\tjournal = {Drug Discovery Today}\n}

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\n \n\n \n \n \n \n \n \n Deep Learning-driven research for drug discovery: Tackling Malaria.\n \n \n \n \n\n\n \n Neves, B. J.; Braga, R. C.; Alves, V. M.; Lima, M. N. N.; Cassiano, G. C.; Muratov, E. N.; Costa, F. T. M.; and Andrade, C. H.\n\n\n \n\n\n\n PLOS Computational Biology, 16(2): e1007025. feb 2020.\n \n\n\n\n
\n\n\n\n \n \n $\"Deep$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2020,\tdoi = {10.1371/journal.pcbi.1007025},\turl = {https://doi.org/10.1371%2Fjournal.pcbi.1007025},\tyear = 2020,\tmonth = {feb},\tpublisher = {Public Library of Science ({PLoS})},\tvolume = {16},\tnumber = {2},\tpages = {e1007025},\tauthor = {Bruno J. Neves and Rodolpho C. Braga and Vinicius M. Alves and Mar{\\'{\\i}}lia N. N. Lima and Gustavo C. Cassiano and Eugene N. Muratov and Fabio T. M. Costa and Carolina Horta Andrade},\teditor = {Quaid Morris},\ttitle = {Deep Learning-driven research for drug discovery: Tackling Malaria},\tjournal = {{PLOS} Computational Biology}}

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\n \n 2019\n \n \n (6)\n \n \n

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\n \n\n \n \n \n \n \n \n In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases.\n \n \n \n \n\n\n \n Andrade, C. H.; Neves, B. J.; Melo-Filho, C. C.; Rodrigues, J.; Silva, D. C.; Braga, R. C.; and Cravo, P. V. L.\n\n\n \n\n\n\n Current Medicinal Chemistry, 26(23): 4355–4379. oct 2019.\n \n\n\n\n
\n\n\n\n \n \n $\"In$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Andrade_2019,\tdoi = {10.2174/0929867325666180309114824},\turl = {https://doi.org/10.2174%2F0929867325666180309114824},\tyear = 2019,\tmonth = {oct},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {26},\tnumber = {23},\tpages = {4355--4379},\tauthor = {Carolina Horta Andrade and Bruno Junior Neves and Cleber Camilo Melo-Filho and Juliana Rodrigues and Diego Cabral Silva and Rodolpho Campos Braga and Pedro Vitor Lemos Cravo},\ttitle = {In Silico Chemogenomics Drug Repositioning Strategies for Neglected Tropical Diseases},\tjournal = {Current Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n \n Biological and Toxicological Evaluation of N-(4methyl-phenyl)-4-methylphthalimide on Bone Cancer in Mice.\n \n \n \n \n\n\n \n Santin, J. R.; da Silva, G. F.; Pastor, M. V.; Broering, M. F.; Nunes, R.; Braga, R. C.; de Sousa, I. T.; Stiz, D. S.; da Silva, K. A.; Stoeberl, L. C.; Corrêa, R.; Filho, V. C.; dos Santos, C. E.; and Quintão, N. L.\n\n\n \n\n\n\n Anti-Cancer Agents in Medicinal Chemistry, 19(5): 667–676. jun 2019.\n \n\n\n\n
\n\n\n\n \n \n $\"Biological$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Santin_2019,\tdoi = {10.2174/1871520619666190207130732},\turl = {https://doi.org/10.2174%2F1871520619666190207130732},\tyear = 2019,\tmonth = {jun},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {19},\tnumber = {5},\tpages = {667--676},\tauthor = {Jos{\\'{e}} R. Santin and Gislaine F. da Silva and Maria V.D. Pastor and Milena F. Broering and Roberta Nunes and Rodolpho C. Braga and Iury T.S. de Sousa and Dorimar S. Stiz and Kathryn A.B.S. da Silva and Luis C. Stoeberl and Rog{\\'{e}}rio Corr{\\^{e}}a and Valdir C. Filho and Carlos E.M. dos Santos and Nara L.M. Quint{\\~{a}}o},\ttitle = {Biological and Toxicological Evaluation of N-(4methyl-phenyl)-4-methylphthalimide on Bone Cancer in Mice},\tjournal = {Anti-Cancer Agents in Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n \n Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening.\n \n \n \n \n\n\n \n Melo-Filho, C. C.; Braga, R. C.; Muratov, E. N.; Franco, C. H.; Moraes, C. B.; Freitas-Junior, L. H.; and Andrade, C. H.\n\n\n \n\n\n\n European Journal of Medicinal Chemistry, 163: 649–659. feb 2019.\n \n\n\n\n
\n\n\n\n \n \n $\"Discovery$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Melo_Filho_2019,\tdoi = {10.1016/j.ejmech.2018.11.062},\turl = {https://doi.org/10.1016%2Fj.ejmech.2018.11.062},\tyear = 2019,\tmonth = {feb},\tpublisher = {Elsevier {BV}},\tvolume = {163},\tpages = {649--659},\tauthor = {Cleber C. Melo-Filho and Rodolpho C. Braga and Eugene N. Muratov and Caio Haddad Franco and Carolina B. Moraes and Lucio H. Freitas-Junior and Carolina Horta Andrade},\ttitle = {Discovery of new potent hits against intracellular Trypanosoma cruzi by {QSAR}-based virtual screening},\tjournal = {European Journal of Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n Comprehensive computational approach for predicting human skin sensitization as suggested alternative to animal testing.\n \n \n \n\n\n \n Muratov, E.; Alves, V.; Borba, J.; Braga, R.; Capuzzi, S.; Silva, A.; Kleinstreuer, N.; Andrade, C.; and Tropsha, A.\n\n\n \n\n\n\n In Abstracts of Papers of The American Chemical Society, volume 257, 2019. Amer Chemical Soc 1155 16th St, NW, Washington, DC 20036 USA\n \n\n\n\n
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@inproceedings{muratov2019comprehensive,title={Comprehensive computational approach for predicting human skin sensitization as suggested alternative to animal testing},author={Muratov, Eugene and Alves, Vinicius and Borba, Joyce and Braga, Rodolpho and Capuzzi, Stephen and Silva, Arhur and Kleinstreuer, Nicole and Andrade, Carolina and Tropsha, Alexander},booktitle={Abstracts of Papers of The American Chemical Society},volume={257},year={2019},organization={Amer Chemical Soc 1155 16th St, NW, Washington, DC 20036 USA}}\n

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\n \n\n \n \n \n \n \n Comprehensive computational approach for predicting human skin sensitization as suggested alternative to animal testing.\n \n \n \n\n\n \n Muratov, E.; Alves, V.; Borba, J.; Braga, R.; Capuzzi, S.; Silva, A.; Kleinstreuer, N.; Andrade, C.; and Tropsha, A.\n\n\n \n\n\n\n In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, volume 257, 2019. AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{muratov2019comprehensive,title={Comprehensive computational approach for predicting human skin sensitization as suggested alternative to animal testing},author={Muratov, Eugene and Alves, Vinicius and Borba, Joyce and Braga, Rodolpho and Capuzzi, Stephen and Silva, Arhur and Kleinstreuer, Nicole and Andrade, Carolina and Tropsha, Alexander},booktitle={ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},volume={257},year={2019},organization={AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}}\n

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\n \n\n \n \n \n \n \n In silico platform as an alternative to animal testing for acute toxicity.\n \n \n \n\n\n \n Borba, J.; Alves, V.; Silva, A.; Overdahl, K.; Capuzzi, S.; Overdahl, E.; Korn, D.; Silva, R.; Hall, S.; Braga, R.; and others\n\n\n \n\n\n\n In Abstracts of Papers of The American Chemical Society, volume 257, 2019. Amer Chemical Soc 1155 16TH ST, NW, Washington, DC 20036 USA\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{borba2019silico,title={In silico platform as an alternative to animal testing for acute toxicity},author={Borba, Joyce and Alves, Vinicius and Silva, Arhur and Overdahl, Kirsten and Capuzzi, Stephen and Overdahl, Erik and Korn, Daniel and Silva, Ruither and Hall, Steven and Braga, Rodolpho and others},booktitle={Abstracts of Papers of The American Chemical Society},volume={257},year={2019},organization={Amer Chemical Soc 1155 16TH ST, NW, Washington, DC 20036 USA}}\n

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\n \n 2018\n \n \n (8)\n \n \n

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\n \n\n \n \n \n \n \n \n QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery.\n \n \n \n \n\n\n \n Neves, B. J.; Braga, R. C.; Melo-Filho, C. C.; Moreira-Filho, J. T.; Muratov, E. N.; and Andrade, C. H.\n\n\n \n\n\n\n Frontiers in Pharmacology, 9. nov 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR-Based$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2018,\tdoi = {10.3389/fphar.2018.01275},\turl = {https://doi.org/10.3389%2Ffphar.2018.01275},\tyear = 2018,\tmonth = {nov},\tpublisher = {Frontiers Media {SA}},\tvolume = {9},\tauthor = {Bruno J. Neves and Rodolpho C. Braga and Cleber C. Melo-Filho and Jos{\\'{e}} Te{\\'{o}}filo Moreira-Filho and Eugene N. Muratov and Carolina Horta Andrade},\ttitle = {{QSAR}-Based Virtual Screening: Advances and Applications in Drug Discovery},\tjournal = {Frontiers in Pharmacology}}

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\n \n\n \n \n \n \n \n \n Computational drug discovery for the Zika virus.\n \n \n \n \n\n\n \n Mottin, M.; Borba, J. V. V. B.; Melo-Filho, C. C.; Neves, B. J.; Muratov, E.; Torres, P. H. M.; Braga, R. C.; Perryman, A.; Ekins, S.; and Andrade, C. H.\n\n\n \n\n\n\n Brazilian Journal of Pharmaceutical Sciences, 54(spe). nov 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"Computational$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Mottin_2018,\tdoi = {10.1590/s2175-97902018000001002},\turl = {https://doi.org/10.1590%2Fs2175-97902018000001002},\tyear = 2018,\tmonth = {nov},\tpublisher = {{FapUNIFESP} ({SciELO})},\tvolume = {54},\tnumber = {spe},\tauthor = {Melina Mottin and Joyce Villa Verde Bastos Borba and Cleber Camilo Melo-Filho and Bruno Junior Neves and Eugene Muratov and Pedro Henrique Monteiro Torres and Rodolpho Campos Braga and Alexander Perryman and Sean Ekins and Carolina Horta Andrade},\ttitle = {Computational drug discovery for the Zika virus},\tjournal = {Brazilian Journal of Pharmaceutical Sciences}}

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\n \n\n \n \n \n \n \n \n The A–Z of Zika drug discovery.\n \n \n \n \n\n\n \n Mottin, M.; Borba, J. V.; Braga, R. C.; Torres, P. H.; Martini, M. C.; Proenca-Modena, J. L.; Judice, C. C.; Costa, F. T.; Ekins, S.; Perryman, A. L.; and Andrade, C. H.\n\n\n \n\n\n\n Drug Discovery Today, 23(11): 1833–1847. nov 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"The$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Mottin_2018,\tdoi = {10.1016/j.drudis.2018.06.014},\turl = {https://doi.org/10.1016%2Fj.drudis.2018.06.014},\tyear = 2018,\tmonth = {nov},\tpublisher = {Elsevier {BV}},\tvolume = {23},\tnumber = {11},\tpages = {1833--1847},\tauthor = {Melina Mottin and Joyce V.V.B. Borba and Rodolpho C. Braga and Pedro H.M. Torres and Matheus C. Martini and Jose Luiz Proenca-Modena and Carla C. Judice and Fabio T.M. Costa and Sean Ekins and Alexander L. Perryman and Carolina Horta Andrade},\ttitle = {The A{\\textendash}Z of Zika drug discovery},\tjournal = {Drug Discovery Today}}

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\n \n\n \n \n \n \n \n \n QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.\n \n \n \n \n\n\n \n Lima, M. N. N.; Melo-Filho, C. C.; Cassiano, G. C.; Neves, B. J.; Alves, V. M.; Braga, R. C.; Cravo, P. V. L.; Muratov, E. N.; Calit, J.; Bargieri, D. Y.; Costa, F. T. M.; and Andrade, C. H.\n\n\n \n\n\n\n Frontiers in Pharmacology, 9. mar 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR-Driven$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Lima_2018,\tdoi = {10.3389/fphar.2018.00146},\turl = {https://doi.org/10.3389%2Ffphar.2018.00146},\tyear = 2018,\tmonth = {mar},\tpublisher = {Frontiers Media {SA}},\tvolume = {9},\tauthor = {Marilia N. N. Lima and Cleber C. Melo-Filho and Gustavo C. Cassiano and Bruno J. Neves and Vinicius M. Alves and Rodolpho C. Braga and Pedro V. L. Cravo and Eugene N. Muratov and Juliana Calit and Daniel Y. Bargieri and Fabio T. M. Costa and Carolina H. Andrade},\ttitle = {{QSAR}-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities},\tjournal = {Frontiers in Pharmacology}}

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\n \n\n \n \n \n \n \n \n A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment.\n \n \n \n \n\n\n \n Alves, V. M.; Capuzzi, S. J.; Braga, R. C.; Borba, J. V. B.; Silva, A. C.; Luechtefeld, T.; Hartung, T.; Andrade, C. H.; Muratov, E. N.; and Tropsha, A.\n\n\n \n\n\n\n ACS Sustainable Chemistry & Engineering, 6(3): 2845–2859. feb 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"A$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2018,\n\tdoi = {10.1021/acssuschemeng.7b04220},\n\turl = {https://doi.org/10.1021%2Facssuschemeng.7b04220},\n\tyear = 2018,\n\tmonth = {feb},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {6},\n\tnumber = {3},\n\tpages = {2845--2859},\n\tauthor = {Vinicius M. Alves and Stephen J. Capuzzi and Rodolpho C. Braga and Joyce V. B. Borba and Arthur C. Silva and Thomas Luechtefeld and Thomas Hartung and Carolina Horta Andrade and Eugene N. Muratov and Alexander Tropsha},\n\ttitle = {A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment},\n\tjournal = {{ACS} Sustainable Chemistry {\\&} Engineering}\n}

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\n \n\n \n \n \n \n \n \n Computational Approaches for Predicting hERG Activity.\n \n \n \n \n\n\n \n \n\n\n \n\n\n\n jan 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"Computational$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

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\n \n\n \n \n \n \n \n \n Development of Web and Mobile Applications for Chemical Toxicity Prediction.\n \n \n \n \n\n\n \n Alves, V.; Braga, R.; Muratov, E.; and Andrade, C.\n\n\n \n\n\n\n Journal of the Brazilian Chemical Society. 2018.\n \n\n\n\n
\n\n\n\n \n \n $\"Development$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2018,\tdoi = {10.21577/0103-5053.20180013},\turl = {https://doi.org/10.21577%2F0103-5053.20180013},\tyear = 2018,\tpublisher = {Sociedade Brasileira de Quimica ({SBQ})},\tauthor = {Vinicius Alves and Rodolpho Braga and Eugene Muratov and Carolina Andrade},\ttitle = {Development of Web and Mobile Applications for Chemical Toxicity Prediction},\tjournal = {Journal of the Brazilian Chemical Society}}

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\n \n\n \n \n \n \n \n OpenZika: discovery of new antiviral candidates against Zika virus.\n \n \n \n\n\n \n Mottin, M.; Carvalho, A. S.; Melo-Filho, C. C.; Neves, B. J.; Braga, R. C.; Lima, C. S.; Silva, S. d.; Shimizu, J. F.; Mesquita, N. C. M. R.; Regasini, L. O.; Jardim, A. C.; Muratov, E.; Oliva, G.; Perryman, A. L.; Ekins, S.; and Andrade, C. H.\n\n\n \n\n\n\n In ACS National Meeting and Exposition, 2018. American Chemical Society - ACS\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{inproceedingsb18bed59,title={OpenZika: discovery of new antiviral candidates against Zika virus},author={Mottin, Melina and Carvalho, Amanda S. and Melo-Filho, Cleber C. and Neves, Bruno J. and Braga, Rodolpho C. and Lima, Caroline S. and Silva, Suely da and Shimizu, Jacqueline F. and Mesquita, Nathalya C. M. R. and Regasini, Luis O. and Jardim, Ana C. and Muratov, Eugene and Oliva, Glaucius and Perryman, Alexander L. and Ekins, Sean and Andrade, Carolina Horta},year={2018},publisher={American Chemical Society - ACS},booktitle={ACS National Meeting and Exposition}}\n

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\n \n 2017\n \n \n (7)\n \n \n

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\n \n\n \n \n \n \n \n \n Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity.\n \n \n \n \n\n\n \n Mottin, M.; Braga, R. C.; da Silva, R. A.; da Silva, J. H. M.; Perryman, A. L.; Ekins, S.; and Andrade, C. H.\n\n\n \n\n\n\n Biochemical and Biophysical Research Communications, 492(4): 643–651. oct 2017.\n \n\n\n\n
\n\n\n\n \n \n $\"Molecular$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Mottin_2017,\tdoi = {10.1016/j.bbrc.2017.03.070},\turl = {https://doi.org/10.1016%2Fj.bbrc.2017.03.070},\tyear = 2017,\tmonth = {oct},\tpublisher = {Elsevier {BV}},\tvolume = {492},\tnumber = {4},\tpages = {643--651},\tauthor = {Melina Mottin and Rodolpho C. Braga and Roosevelt A. da Silva and Joao H. Martins da Silva and Alexander L. Perryman and Sean Ekins and Carolina Horta Andrade},\ttitle = {Molecular dynamics simulations of Zika virus {NS}3 helicase: Insights into {RNA} binding site activity},\tjournal = {Biochemical and Biophysical Research Communications}}

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\n \n\n \n \n \n \n \n \n QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity.\n \n \n \n \n\n\n \n Gomes, M. N.; Braga, R. C.; Grzelak, E. M.; Neves, B. J.; Muratov, E.; Ma, R.; Klein, L. L.; Cho, S.; Oliveira, G. R.; Franzblau, S. G.; and Andrade, C. H.\n\n\n \n\n\n\n European Journal of Medicinal Chemistry, 137: 126–138. sep 2017.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR-driven$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Gomes_2017,\tdoi = {10.1016/j.ejmech.2017.05.026},\turl = {https://doi.org/10.1016%2Fj.ejmech.2017.05.026},\tyear = 2017,\tmonth = {sep},\tpublisher = {Elsevier {BV}},\tvolume = {137},\tpages = {126--138},\tauthor = {Marcelo N. Gomes and Rodolpho C. Braga and Edyta M. Grzelak and Bruno J. Neves and Eugene Muratov and Rui Ma and Larry L. Klein and Sanghyun Cho and Guilherme R. Oliveira and Scott G. Franzblau and Carolina Horta Andrade},\ttitle = {{QSAR}-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity},\tjournal = {European Journal of Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n \n Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals.\n \n \n \n \n\n\n \n Braga, R. C.; Alves, V. M.; Muratov, E. N.; Strickland, J.; Kleinstreuer, N.; Trospsha, A.; and Andrade, C. H.\n\n\n \n\n\n\n Journal of Chemical Information and Modeling, 57(5): 1013–1017. may 2017.\n \n\n\n\n
\n\n\n\n \n \n $\"Pred-Skin:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2017,\n\tdoi = {10.1021/acs.jcim.7b00194},\n\turl = {https://doi.org/10.1021%2Facs.jcim.7b00194},\n\tyear = 2017,\n\tmonth = {may},\n\tpublisher = {American Chemical Society ({ACS})},\n\tvolume = {57},\n\tnumber = {5},\n\tpages = {1013--1017},\n\tauthor = {Rodolpho C. Braga and Vinicius M. Alves and Eugene N. Muratov and Judy Strickland and Nicole Kleinstreuer and Alexander Trospsha and Carolina Horta Andrade},\n\ttitle = {Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals},\n\tjournal = {Journal of Chemical Information and Modeling}\n}

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\n \n\n \n \n \n \n \n \n Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.\n \n \n \n \n\n\n \n Sainas, S.; Pippione, A. C.; Giorgis, M.; Lupino, E.; Goyal, P.; Ramondetti, C.; Buccinnà, B.; Piccinini, M.; Braga, R. C.; Andrade, C. H.; Andersson, M.; Moritzer, A.; Friemann, R.; Mensa, S.; Al-Karadaghi, S.; Boschi, D.; and Lolli, M. L.\n\n\n \n\n\n\n European Journal of Medicinal Chemistry, 129: 287–302. mar 2017.\n \n\n\n\n
\n\n\n\n \n \n $\"Design,$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Sainas_2017,\tdoi = {10.1016/j.ejmech.2017.02.017},\turl = {https://doi.org/10.1016%2Fj.ejmech.2017.02.017},\tyear = 2017,\tmonth = {mar},\tpublisher = {Elsevier {BV}},\tvolume = {129},\tpages = {287--302},\tauthor = {Stefano Sainas and Agnese C. Pippione and Marta Giorgis and Elisa Lupino and Parveen Goyal and Cristina Ramondetti and Barbara Buccinn{\\`{a}} and Marco Piccinini and Rodolpho C. Braga and Carolina H. Andrade and Mikael Andersson and Ann-Christin Moritzer and Rosmarie Friemann and Stefano Mensa and Salam Al-Karadaghi and Donatella Boschi and Marco L. Lolli},\ttitle = {Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds},\tjournal = {European Journal of Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n DNDi-LOLA: an innovative program for neglected tropical diseases drug discovery in Latin America.\n \n \n \n\n\n \n Pauli, I.; Rodrigues, J. H. S.; Ferreira, L. G.; Magalhães, L. G.; Krogh, R.; Braga, R. C.; Dessoy, M. A.; Slafer, B.; Oliva, G.; Dias, L. C.; Andricopulo, A. D.; Kratz, J. M.; and Mowbray, C. E.\n\n\n \n\n\n\n In Congresso Brasileiro de Parasitologia, 2017. Sociedade Brasileira de Parasitologia\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{inproceedings2e5bf7cf,title={DNDi-LOLA: an innovative program for neglected tropical diseases drug discovery in Latin America},author={Pauli, Ivani and Rodrigues, Jean H. S. and Ferreira, Leonardo G. and Magalhães, Luma G. and Krogh, Renata and Braga, Rodolpho C. and Dessoy, Marco Aurélio and Slafer, Brian and Oliva, Glaucius and Dias, Luiz Carlos and Andricopulo, Adriano Defini and Kratz, Jadel Müller and Mowbray, Charles E.},year={2017},publisher={Sociedade Brasileira de Parasitologia},booktitle={Congresso Brasileiro de Parasitologia}}\n

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\n \n\n \n \n \n \n \n \n QUIMIOINFORMÁTICA: UMA INTRODUÇÃO.\n \n \n \n \n\n\n \n Alves, V.; Braga, R.; Muratov, E.; and Andrade, C.\n\n\n \n\n\n\n Química Nova. 2017.\n \n\n\n\n
\n\n\n\n \n \n $\"QUIMIOINFORMÁTICA:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2017,\tdoi = {10.21577/0100-4042.20170145},\turl = {https://doi.org/10.21577%2F0100-4042.20170145},\tyear = 2017,\tpublisher = {Sociedade Brasileira de Quimica ({SBQ})},\tauthor = {Vinicius Alves and Rodolpho Braga and Eugene Muratov and Carolina Andrade},\ttitle = {{QUIMIOINFORM}{\\'{A}}{TICA}: {UMA} {INTRODU}{\\c{C}}{\\~{A}}O},\tjournal = {Qu{\\'{\\i}}mica Nova}}

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\n \n\n \n \n \n \n \n SAR and MPO analysis of a Series of noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents.\n \n \n \n\n\n \n Braga, R. C.; Pauli, I.; and Andricopulo, A. D.\n\n\n \n\n\n\n In IUPAC World Chemistry Congress, 2017. International Union of Pure and Applied Chemistry - IUPAC\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{inproceedingsea3168ba,title={SAR and MPO analysis of a Series of noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents},author={Braga, Rodolpho C. and Pauli, Ivani and Andricopulo, Adriano Defini},year={2017},publisher={International Union of Pure and Applied Chemistry - IUPAC},booktitle={IUPAC World Chemistry Congress}}\n

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\n \n 2016\n \n \n (4)\n \n \n

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\n \n\n \n \n \n \n \n \n Evaluation of cytotoxic effect of the combination of a pyridinyl carboxamide derivative and oxaliplatin on NCI-H1299 human non-small cell lung carcinoma cells.\n \n \n \n \n\n\n \n \n\n\n \n\n\n\n Biomedicine & Pharmacotherapy, 84: 1019–1028. dec 2016.\n \n\n\n\n
\n\n\n\n \n \n $\"Evaluation$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

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\n\n\n

\n \n\n \n \n \n \n \n \n QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.\n \n \n \n \n\n\n \n Melo-Filho, C. C.; Dantas, R. F.; Braga, R. C.; Neves, B. J.; Senger, M. R.; Valente, W. C. G.; Rezende-Neto, J. M.; Chaves, W. T.; Muratov, E. N.; Paveley, R. A.; Furnham, N.; Kamentsky, L.; Carpenter, A. E.; Silva-Junior, F. P.; and Andrade, C. H.\n\n\n \n\n\n\n Journal of Chemical Information and Modeling, 56(7): 1357–1372. jun 2016.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR-Driven$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Melo_Filho_2016,\tdoi = {10.1021/acs.jcim.6b00055},\turl = {https://doi.org/10.1021%2Facs.jcim.6b00055},\tyear = 2016,\tmonth = {jun},\tpublisher = {American Chemical Society ({ACS})},\tvolume = {56},\tnumber = {7},\tpages = {1357--1372},\tauthor = {Cleber C. Melo-Filho and Rafael F. Dantas and Rodolpho C. Braga and Bruno J. Neves and Mario R. Senger and Walter C. G. Valente and Jo{\\~{a}}o M. Rezende-Neto and Willian T. Chaves and Eugene N. Muratov and Ross A. Paveley and Nicholas Furnham and Lee Kamentsky and Anne E. Carpenter and Floriano P. Silva-Junior and Carolina H. Andrade},\ttitle = {QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni},\tjournal = {Journal of Chemical Information and Modeling}}

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\n \n\n \n \n \n \n \n \n Alarms about structural alerts.\n \n \n \n \n\n\n \n Alves, V. M.; Muratov, E. N.; Capuzzi, S. J.; Politi, R.; Low, Y.; Braga, R. C.; Zakharov, A. V.; Sedykh, A.; Mokshyna, E.; Farag, S.; Andrade, C. H.; Kuz'min, V. E.; Fourches, D.; and Tropsha, A.\n\n\n \n\n\n\n Green Chemistry, 18(16): 4348–4360. 2016.\n \n\n\n\n
\n\n\n\n \n \n $\"Alarms$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2016,\tdoi = {10.1039/c6gc01492e},\turl = {https://doi.org/10.1039%2Fc6gc01492e},\tyear = 2016,\tpublisher = {Royal Society of Chemistry ({RSC})},\tvolume = {18},\tnumber = {16},\tpages = {4348--4360},\tauthor = {Vinicius M. Alves and Eugene N. Muratov and Stephen J. Capuzzi and Regina Politi and Yen Low and Rodolpho C. Braga and Alexey V. Zakharov and Alexander Sedykh and Elena Mokshyna and Sherif Farag and Carolina H. Andrade and Victor E. Kuz{\\textquotesingle}min and Denis Fourches and Alexander Tropsha},\ttitle = {Alarms about structural alerts},\tjournal = {Green Chemistry}}

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\n \n\n \n \n \n \n \n \n QSAR models of human data can enrich or replace LLNA testing for human skin sensitization.\n \n \n \n \n\n\n \n Alves, V. M.; Capuzzi, S. J.; Muratov, E. N.; Braga, R. C.; Thornton, T. E.; Fourches, D.; Strickland, J.; Kleinstreuer, N.; Andrade, C. H.; and Tropsha, A.\n\n\n \n\n\n\n Green Chemistry, 18(24): 6501–6515. 2016.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Alves_2016,\tdoi = {10.1039/c6gc01836j},\turl = {https://doi.org/10.1039%2Fc6gc01836j},\tyear = 2016,\tpublisher = {Royal Society of Chemistry ({RSC})},\tvolume = {18},\tnumber = {24},\tpages = {6501--6515},\tauthor = {Vinicius M. Alves and Stephen J. Capuzzi and Eugene N. Muratov and Rodolpho C. Braga and Thomas E. Thornton and Denis Fourches and Judy Strickland and Nicole Kleinstreuer and Carolina H. Andrade and Alexander Tropsha},\ttitle = {{QSAR} models of human data can enrich or replace {LLNA} testing for human skin sensitization},\tjournal = {Green Chemistry}}

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\n \n 2015\n \n \n (5)\n \n \n

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\n \n\n \n \n \n \n \n \n Fragment-based approach for affinity and selectivity for dUTPase: Insights for design of new anti-malarial agents.\n \n \n \n \n\n\n \n Andrade, C.; Nascimento, M.; Martins, M.; Braga, R.; Neves, B.; and Alves, V.\n\n\n \n\n\n\n In Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences, dec 2015. MDPI\n \n\n\n\n
\n\n\n\n \n \n $\"Fragment-based$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{Andrade_2015,\tdoi = {10.3390/mol2net-1-b029},\turl = {https://doi.org/10.3390%2Fmol2net-1-b029},\tyear = 2015,\tmonth = {dec},\tpublisher = {{MDPI}},\tauthor = {Carolina Andrade and Marilia Nascimento and Marina Martins and Rodolpho Braga and Bruno Neves and Vinicius Alves},\ttitle = {Fragment-based approach for affinity and selectivity for {dUTPase}: Insights for design of new anti-malarial agents},\tbooktitle = {Proceedings of {MOL}2NET, International Conference on Multidisciplinary Sciences}}

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\n \n\n \n \n \n \n \n \n Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity.\n \n \n \n \n\n\n \n Braga, R. C.; Alves, V. M.; Silva, M. F. B.; Muratov, E.; Fourches, D.; Lião, L. M.; Tropsha, A.; and Andrade, C. H.\n\n\n \n\n\n\n Molecular Informatics, 34(10): 698–701. jul 2015.\n \n\n\n\n
\n\n\n\n \n \n $\"Pred-hERG:$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2015,\tdoi = {10.1002/minf.201500040},\turl = {https://doi.org/10.1002%2Fminf.201500040},\tyear = 2015,\tmonth = {jul},\tpublisher = {Wiley},\tvolume = {34},\tnumber = {10},\tpages = {698--701},\tauthor = {Rodolpho C. Braga and Vinicius M. Alves and Meryck F. B. Silva and Eugene Muratov and Denis Fourches and Luciano M. Li{\\~{a}}o and Alexander Tropsha and Carolina H. Andrade},\ttitle = {Pred-{hERG}: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity},\tjournal = {Molecular Informatics}}

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\n \n\n \n \n \n \n \n \n QSAR and Molecular Modeling Approaches for Prediction of Drug Metabolism.\n \n \n \n \n\n\n \n Braga, R. C.; Alves, V. M.; Silva, F. C.; and Andrade, C. H.\n\n\n \n\n\n\n aug 2015.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@misc{Braga_2015,\tdoi = {10.1002/9780470921920.edm139},\turl = {https://doi.org/10.1002%2F9780470921920.edm139},\tyear = 2015,\tmonth = {aug},\tpublisher = {John Wiley {\\&} Sons, Inc.},\tpages = {1--28},\tauthor = {Rodolpho C. Braga and Vinicius M. Alves and Flavia C. Silva and Carolina H. Andrade},\ttitle = {{QSAR} and Molecular Modeling Approaches for Prediction of Drug Metabolism}}

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\n\n\n

\n \n\n \n \n \n \n \n \n In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni.\n \n \n \n \n\n\n \n Neves, B. J.; Braga, R. C.; Bezerra, J. C. B.; Cravo, P. V. L.; and Andrade, C. H.\n\n\n \n\n\n\n PLoS Neglected Tropical Diseases, 9(1): e3435. jan 2015.\n \n\n\n\n
\n\n\n\n \n \n $\"In$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2015,\tdoi = {10.1371/journal.pntd.0003435},\turl = {https://doi.org/10.1371%2Fjournal.pntd.0003435},\tyear = 2015,\tmonth = {jan},\tpublisher = {Public Library of Science ({PLoS})},\tvolume = {9},\tnumber = {1},\tpages = {e3435},\tauthor = {Bruno J. Neves and Rodolpho C. Braga and Jos{\\'{e}} C. B. Bezerra and Pedro V. L. Cravo and Carolina H. Andrade},\teditor = {Banchob Sripa},\ttitle = {In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni},\tjournal = {{PLoS} Neglected Tropical Diseases}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n QSAR models could replace LLNA test for predicting human skin sensitization potential of chemicals.\n \n \n \n\n\n \n Alves, V.; Braga, R.; Muratov, E.; Fourches, D.; Kleinstreuer, N.; Strickland, J.; Andrade, C.; and Tropsha, A.\n\n\n \n\n\n\n In Abstracts of Papers of The American Chemical Society, volume 250, 2015. AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@inproceedings{alves2015qsar,title={QSAR models could replace LLNA test for predicting human skin sensitization potential of chemicals},author={Alves, Vinicius and Braga, Rodolpho and Muratov, Eugene and Fourches, Denis and Kleinstreuer, Nicole and Strickland, Judy and Andrade, Carolina and Tropsha, Alexander},booktitle={Abstracts of Papers of The American Chemical Society},volume={250},year={2015},organization={AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA}}\n

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\n \n 2014\n \n \n (8)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n In silico Prediction of Drug Metabolism by P450.\n \n \n \n \n\n\n \n Andrade, C.; Silva, D.; and Braga, R.\n\n\n \n\n\n\n Current Drug Metabolism, 15(5): 514–525. nov 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"In$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Andrade_2014,\tdoi = {10.2174/1389200215666140908102530},\turl = {https://doi.org/10.2174%2F1389200215666140908102530},\tyear = 2014,\tmonth = {nov},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {15},\tnumber = {5},\tpages = {514--525},\tauthor = {Carolina Andrade and Diego Silva and Rodolpho Braga},\ttitle = {In silico Prediction of Drug Metabolism by P450},\tjournal = {Current Drug Metabolism}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Virtual Screening Strategies in Medicinal Chemistry: The State of the Art and Current Challenges.\n \n \n \n \n\n\n \n Braga, R.; Alves, V.; Silva, A.; Nascimento, M.; Silva, F.; Liao, L.; and Andrade, C.\n\n\n \n\n\n\n Current Topics in Medicinal Chemistry, 14(16): 1899–1912. oct 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"Virtual$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2014,\tdoi = {10.2174/1568026614666140929120749},\turl = {https://doi.org/10.2174%2F1568026614666140929120749},\tyear = 2014,\tmonth = {oct},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {14},\tnumber = {16},\tpages = {1899--1912},\tauthor = {Rodolpho Braga and Vinicius Alves and Arthur Silva and Marilia Nascimento and Flavia Silva and Luciano Liao and Carolina Andrade},\ttitle = {Virtual Screening Strategies in Medicinal Chemistry: The State of the Art and Current Challenges},\tjournal = {Current Topics in Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n \n 3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models.\n \n \n \n \n\n\n \n Melo-Filho, C.; Braga, R.; and Andrade, C.\n\n\n \n\n\n\n Current Computer Aided-Drug Design, 10(2): 148–159. jul 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"3D-QSAR$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Melo_Filho_2014,\tdoi = {10.2174/1573409910666140410111043},\turl = {https://doi.org/10.2174%2F1573409910666140410111043},\tyear = 2014,\tmonth = {jul},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {10},\tnumber = {2},\tpages = {148--159},\tauthor = {Cleber Melo-Filho and Rodolpho Braga and Carolina Andrade},\ttitle = {3D-{QSAR} Approaches in Drug Design: Perspectives to Generate Reliable {CoMFA} Models},\tjournal = {Current Computer Aided-Drug Design}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Editorial (Thematic Issue: Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View).\n \n \n \n \n\n\n \n Andrade, C.; and Braga, R.\n\n\n \n\n\n\n Current Topics in Medicinal Chemistry, 14(11): 1323–1324. jun 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"Editorial$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Andrade_2014,\tdoi = {10.2174/1568026614666140506114019},\turl = {https://doi.org/10.2174%2F1568026614666140506114019},\tyear = 2014,\tmonth = {jun},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {14},\tnumber = {11},\tpages = {1323--1324},\tauthor = {Carolina Andrade and Rodolpho Braga},\ttitle = {Editorial (Thematic Issue: Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View)},\tjournal = {Current Topics in Medicinal Chemistry}}

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\n \n\n \n \n \n \n \n \n Tuning hERG Out: Antitarget QSAR Models for Drug Development.\n \n \n \n \n\n\n \n Braga, R.; Alves, V.; Silva, M.; Muratov, E.; Fourches, D.; Tropsha, A.; and Andrade, C.\n\n\n \n\n\n\n Current Topics in Medicinal Chemistry, 14(11): 1399–1415. jun 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"Tuning$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2014,\tdoi = {10.2174/1568026614666140506124442},\turl = {https://doi.org/10.2174%2F1568026614666140506124442},\tyear = 2014,\tmonth = {jun},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {14},\tnumber = {11},\tpages = {1399--1415},\tauthor = {Rodolpho Braga and Vinicius Alves and Meryck Silva and Eugene Muratov and Denis Fourches and Alexander Tropsha and Carolina Andrade},\ttitle = {Tuning {hERG} Out: Antitarget {QSAR} Models for Drug Development},\tjournal = {Current Topics in Medicinal Chemistry}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Advances in Methods for Predicting Phase I Metabolism of Polyphenols.\n \n \n \n \n\n\n \n Melo-Filho, C.; Braga, R.; and Andrade, C.\n\n\n \n\n\n\n Current Drug Metabolism, 15(1): 120–126. feb 2014.\n \n\n\n\n
\n\n\n\n \n \n $\"Advances$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Melo_Filho_2014,\tdoi = {10.2174/1389200215666140130125339},\turl = {https://doi.org/10.2174%2F1389200215666140130125339},\tyear = 2014,\tmonth = {feb},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {15},\tnumber = {1},\tpages = {120--126},\tauthor = {Cleber Melo-Filho and Rodolpho Braga and Carolina Andrade},\ttitle = {Advances in Methods for Predicting Phase I Metabolism of Polyphenols},\tjournal = {Current Drug Metabolism}}

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\n\n\n

\n \n\n \n \n \n \n \n Multitarget virtual screening approach: Identification of new hit compounds against Leishmania infantum.\n \n \n \n\n\n \n Braga, R. C.; Pinto, E. G.; Martins, L. F.; Tempone, A. G.; Liao, L. M.; and Andrade, C. H.\n\n\n \n\n\n\n Abstracts of Papers of the American Chemical Society, 248. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{RID:0929151457940-30,\ntitle = {Multitarget virtual screening approach: Identification of new hit compounds against Leishmania infantum},\njournal = {Abstracts of Papers of the American Chemical Society},\nyear = {2014},\nauthor = {Braga, Rodolpho C. and  Pinto, Erika G. and  Martins, Ligia F. and  Tempone, Andre G. and  Liao, Luciano M. and  Andrade, Carolina H.},\nvolume = {248}\n}

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\n \n\n \n \n \n \n \n Pred-hERG: A novel web-accessible computational tool for predicting cardiac toxicity of drug candidates.\n \n \n \n\n\n \n Alves, V. M.; Braga, R. C.; Silva, M. B.; Muratov, E.; Fourches, D.; Tropsha, A.; and Andrade, C. H.\n\n\n \n\n\n\n Abstracts of Papers of the American Chemical Society, 248. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{RID:0601171615936-31,\ntitle = {Pred-hERG: A novel web-accessible computational tool for predicting cardiac toxicity of drug candidates},\njournal = {Abstracts of Papers of the American Chemical Society},\nyear = {2014},\nauthor = {Alves, Vinicius M. and  Braga, Rodolpho C. and  Silva, Meryck B. and  Muratov, Eugene and  Fourches, Denis and  Tropsha, Alexander and  Andrade, Carolina H.},\nvolume = {248}\n}

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\n \n 2013\n \n \n (4)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n New Tuberculostatic Agents Targeting Nucleic Acid Biosynthesis: Drug Design using QSAR Approaches.\n \n \n \n \n\n\n \n Bueno, R.; Braga, R.; Segretti, N.; Ferreira, E.; Trossini, G.; and Andrade, C.\n\n\n \n\n\n\n Current Pharmaceutical Design, 20(27): 4474–4485. nov 2013.\n \n\n\n\n
\n\n\n\n \n \n $\"New$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Bueno_2013,\tdoi = {10.2174/1381612819666131118170238},\turl = {https://doi.org/10.2174%2F1381612819666131118170238},\tyear = 2013,\tmonth = {nov},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {20},\tnumber = {27},\tpages = {4474--4485},\tauthor = {Renata Bueno and Rodolpho Braga and Natanael Segretti and Elizabeth Ferreira and Gustavo Trossini and Carolina Andrade},\ttitle = {New Tuberculostatic Agents Targeting Nucleic Acid Biosynthesis: Drug Design using {QSAR} Approaches},\tjournal = {Current Pharmaceutical Design}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Assessing the Performance of 3D Pharmacophore Models in Virtual Screening: How Good are They?.\n \n \n \n \n\n\n \n Braga, R. C.; and Andrade, C. H.\n\n\n \n\n\n\n Current Topics in Medicinal Chemistry, 13(9): 1127–1138. may 2013.\n \n\n\n\n
\n\n\n\n \n \n $\"Assessing$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2013,\tdoi = {10.2174/1568026611313090010},\turl = {https://doi.org/10.2174%2F1568026611313090010},\tyear = 2013,\tmonth = {may},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {13},\tnumber = {9},\tpages = {1127--1138},\tauthor = {Rodolpho C. Braga and Carolina H. Andrade},\ttitle = {Assessing the Performance of 3D Pharmacophore Models in Virtual Screening: How Good are They?},\tjournal = {Current Topics in Medicinal Chemistry}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n \n Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches.\n \n \n \n \n\n\n \n Neves, B. J.; Bueno, R. V.; Braga, R. C.; and Andrade, C. H.\n\n\n \n\n\n\n Bioorganic & Medicinal Chemistry Letters, 23(8): 2436–2441. apr 2013.\n \n\n\n\n
\n\n\n\n \n \n $\"Discovery$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Neves_2013,\tdoi = {10.1016/j.bmcl.2013.02.006},\turl = {https://doi.org/10.1016%2Fj.bmcl.2013.02.006},\tyear = 2013,\tmonth = {apr},\tpublisher = {Elsevier {BV}},\tvolume = {23},\tnumber = {8},\tpages = {2436--2441},\tauthor = {Bruno J. Neves and Renata V. Bueno and Rodolpho C. Braga and Carolina H. Andrade},\ttitle = {Discovery of new potential hits of Plasmodium falciparum enoyl-{ACP} reductase through ligand- and structure-based drug design approaches},\tjournal = {Bioorganic & Medicinal Chemistry Letters}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n \n In silico metabolism studies of dietary flavonoids by CYP1A2 and CYP2C9.\n \n \n \n \n\n\n \n Sousa, M. C.; Braga, R. C.; Cintra, B. A.; de Oliveira, V.; and Andrade, C. H.\n\n\n \n\n\n\n Food Research International, 50(1): 102–110. jan 2013.\n \n\n\n\n
\n\n\n\n \n \n $\"In$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Sousa_2013,\tdoi = {10.1016/j.foodres.2012.09.027},\turl = {https://doi.org/10.1016%2Fj.foodres.2012.09.027},\tyear = 2013,\tmonth = {jan},\tpublisher = {Elsevier {BV}},\tvolume = {50},\tnumber = {1},\tpages = {102--110},\tauthor = {Mariana C. Sousa and Rodolpho C. Braga and Bertilha A.S. Cintra and Val{\\'{e}}ria de Oliveira and Carolina H. Andrade},\ttitle = {In silico metabolism studies of dietary flavonoids by {CYP}1A2 and {CYP}2C9},\tjournal = {Food Research International}}

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\n\n

\n \n 2012\n \n \n (5)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies.\n \n \n \n \n\n\n \n Bueno, R. V.; Toledo, N. R.; Neves, B. J.; Braga, R. C.; and Andrade, C. H.\n\n\n \n\n\n\n Journal of Molecular Modeling, 19(1): 179–192. jul 2012.\n \n\n\n\n
\n\n\n\n \n \n $\"Structural$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Bueno_2012,\tdoi = {10.1007/s00894-012-1527-8},\turl = {https://doi.org/10.1007%2Fs00894-012-1527-8},\tyear = 2012,\tmonth = {jul},\tpublisher = {Springer Science and Business Media {LLC}},\tvolume = {19},\tnumber = {1},\tpages = {179--192},\tauthor = {Renata V. Bueno and Ney R. Toledo and Bruno J. Neves and Rodolpho C. Braga and Carolina H. Andrade},\ttitle = {Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based {QSAR} and {QM}/{MM} docking studies},\tjournal = {Journal of Molecular Modeling}}

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\n\n\n

\n \n\n \n \n \n \n \n \n QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction.\n \n \n \n \n\n\n \n Braga, R. C.; and Andrade, C. H.\n\n\n \n\n\n\n Mini-Reviews in Medicinal Chemistry, 12(6): 573–582. may 2012.\n \n\n\n\n
\n\n\n\n \n \n $\"QSAR$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{C_Braga_2012,\tdoi = {10.2174/138955712800493807},\turl = {https://doi.org/10.2174%2F138955712800493807},\tyear = 2012,\tmonth = {may},\tpublisher = {Bentham Science Publishers Ltd.},\tvolume = {12},\tnumber = {6},\tpages = {573--582},\tauthor = {R. C. Braga and C. H. Andrade},\ttitle = {{QSAR} and {QM}/{MM} Approaches Applied to Drug Metabolism Prediction},\tjournal = {Mini-Reviews in Medicinal Chemistry}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Microbial $˘pbeta$-glycosylation of entacapone by Cunninghamella echinulata ATCC 9245.\n \n \n \n \n\n\n \n Lustosa, K. R.; Menegatti, R.; Braga, R. C.; Lião, L. M.; and de Oliveira, V.\n\n\n \n\n\n\n Journal of Bioscience and Bioengineering, 113(5): 611–613. may 2012.\n \n\n\n\n
\n\n\n\n \n \n $\"Microbial$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Lustosa_2012,\tdoi = {10.1016/j.jbiosc.2012.01.004},\turl = {https://doi.org/10.1016%2Fj.jbiosc.2012.01.004},\tyear = 2012,\tmonth = {may},\tpublisher = {Elsevier {BV}},\tvolume = {113},\tnumber = {5},\tpages = {611--613},\tauthor = {Keyla R.M.D. Lustosa and Ricardo Menegatti and Rodolpho C. Braga and Luciano M. Li{\\~{a}}o and Val{\\'{e}}ria de Oliveira},\ttitle = {Microbial $\\upbeta$-glycosylation of entacapone by Cunninghamella echinulata {ATCC} 9245},\tjournal = {Journal of Bioscience and Bioengineering}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues.\n \n \n \n \n\n\n \n de S. Gil, E.; Andrade, C. H.; Barbosa, N. L.; Braga, R. C.; and Serrano, S. H. P.\n\n\n \n\n\n\n Journal of the Brazilian Chemical Society, 23(3): 565–572. mar 2012.\n \n\n\n\n
\n\n\n\n \n \n $\"Cyclic$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Gil_2012,\tdoi = {10.1590/s0103-50532012000300025},\turl = {https://doi.org/10.1590%2Fs0103-50532012000300025},\tyear = 2012,\tmonth = {mar},\tpublisher = {{FapUNIFESP} ({SciELO})},\tvolume = {23},\tnumber = {3},\tpages = {565--572},\tauthor = {Eric de S. Gil and Carolina H. Andrade and N{\\'{u}}sia L. Barbosa and Rodolpho C. Braga and S{\\'{\\i}}lvia H. P. Serrano},\ttitle = {Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues},\tjournal = {Journal of the Brazilian Chemical Society}}

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\n\n\n

\n \n\n \n \n \n \n \n Integrated Chemoinformatics approaches to virtual screening in the search of new lead compounds against Leishmania.\n \n \n \n\n\n \n Braga, R. C.; Liao, L. M.; Bezerra, J. C. B.; Vinaud, M. C. B.; and Andrade, C. H.\n\n\n \n\n\n\n Abstracts of Papers of the American Chemical Society, 244. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{RID:0928141827839-27,\ntitle = {Integrated Chemoinformatics approaches to virtual screening in the search of new lead compounds against Leishmania},\njournal = {Abstracts of Papers of the American Chemical Society},\nyear = {2012},\nauthor = {Braga, Rodolpho C. and  Liao, Luciano M. and  Bezerra, Jose C. B. and  Vinaud, Marina C. B. and  Andrade, Carolina H.},\nvolume = {244}\n}

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\n\n\n\n\n\n

\n\n

\n \n 2011\n \n \n (3)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone.\n \n \n \n \n\n\n \n Braga, R. C.; Alves, V. M.; Fraga, C. A. M.; Barreiro, E. J.; de Oliveira, V.; and Andrade, C. H.\n\n\n \n\n\n\n Journal of Molecular Modeling, 18(5): 2065–2078. sep 2011.\n \n\n\n\n
\n\n\n\n \n \n $\"Combination$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2011,\tdoi = {10.1007/s00894-011-1219-9},\turl = {https://doi.org/10.1007%2Fs00894-011-1219-9},\tyear = 2011,\tmonth = {sep},\tpublisher = {Springer Science and Business Media {LLC}},\tvolume = {18},\tnumber = {5},\tpages = {2065--2078},\tauthor = {Rodolpho C. Braga and Vin{\\'{\\i}}cius M. Alves and Carlos A. M. Fraga and Eliezer J. Barreiro and Val{\\'{e}}ria de Oliveira and Carolina H. Andrade},\ttitle = {Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone},\tjournal = {Journal of Molecular Modeling}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Development of topotecan loaded lipid nanoparticles for chemical stabilization and prolonged release.\n \n \n \n \n\n\n \n Souza, L.; Silva, E.; Martins, A.; Mota, M.; Braga, R.; Lima, E.; Valadares, M.; Taveira, S.; and Marreto, R.\n\n\n \n\n\n\n European Journal of Pharmaceutics and Biopharmaceutics, 79(1): 189–196. sep 2011.\n \n\n\n\n
\n\n\n\n \n \n $\"Development$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Souza_2011,\tdoi = {10.1016/j.ejpb.2011.02.012},\turl = {https://doi.org/10.1016%2Fj.ejpb.2011.02.012},\tyear = 2011,\tmonth = {sep},\tpublisher = {Elsevier {BV}},\tvolume = {79},\tnumber = {1},\tpages = {189--196},\tauthor = {L.G. Souza and E.J. Silva and A.L.L. Martins and M.F. Mota and R.C. Braga and E.M. Lima and M.C. Valadares and S.F. Taveira and R.N. Marreto},\ttitle = {Development of topotecan loaded lipid nanoparticles for chemical stabilization and prolonged release},\tjournal = {European Journal of Pharmaceutics and Biopharmaceutics}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Determination of the cardioactive prototype LASSBio-294 and its metabolites in dog plasma by LC–MS/MS: Application for a pharmacokinetic study.\n \n \n \n \n\n\n \n Braga, R. C.; Tôrres, A. C.; Persiano, C. B.; Alves, R. O.; Fraga, C. A.; Barreiro, E. J.; and de Oliveira, V.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(5): 1024–1030. jul 2011.\n \n\n\n\n
\n\n\n\n \n \n $\"Determination$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2011,\tdoi = {10.1016/j.jpba.2011.02.031},\turl = {https://doi.org/10.1016%2Fj.jpba.2011.02.031},\tyear = 2011,\tmonth = {jul},\tpublisher = {Elsevier {BV}},\tvolume = {55},\tnumber = {5},\tpages = {1024--1030},\tauthor = {Rodolpho C. Braga and Andr{\\'{e}}a C.B. T{\\^{o}}rres and Camille B. Persiano and Ros{\\^{a}}ngela O. Alves and Carlos A.M. Fraga and Eliezer J. Barreiro and Val{\\'{e}}ria de Oliveira},\ttitle = {Determination of the cardioactive prototype {LASSBio}-294 and its metabolites in dog plasma by {LC}{\\textendash}{MS}/{MS}: Application for a pharmacokinetic study},\tjournal = {Journal of Pharmaceutical and Biomedical Analysis}}

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\n\n\n\n\n\n

\n\n

\n \n 2010\n \n \n (2)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294.\n \n \n \n \n\n\n \n Carneiro, E. O.; Andrade, C. H.; Braga, R. C.; Tôrres, A. C.; Alves, R. O.; Lião, L. M.; Fraga, C. A.; Barreiro, E. J.; and de Oliveira, V.\n\n\n \n\n\n\n Bioorganic & Medicinal Chemistry Letters, 20(12): 3734–3736. jun 2010.\n \n\n\n\n
\n\n\n\n \n \n $\"Structure-based$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Carneiro_2010,\tdoi = {10.1016/j.bmcl.2010.04.073},\turl = {https://doi.org/10.1016%2Fj.bmcl.2010.04.073},\tyear = 2010,\tmonth = {jun},\tpublisher = {Elsevier {BV}},\tvolume = {20},\tnumber = {12},\tpages = {3734--3736},\tauthor = {Emmanuel O. Carneiro and Carolina H. Andrade and Rodolpho C. Braga and Andr{\\'{e}}a C.B. T{\\^{o}}rres and Ros{\\^{a}}ngela O. Alves and Luciano M. Li{\\~{a}}o and Carlos A.M. Fraga and Eliezer J. Barreiro and Val{\\'{e}}ria de Oliveira},\ttitle = {Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype {LASSBio}-294},\tjournal = {Bioorganic & Medicinal Chemistry Letters}}

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\n\n\n

\n \n\n \n \n \n \n \n Discovery of novel hit compounds for Trypanosoma cruzi sterol 14a-demethylase through structure-based virtual screening.\n \n \n \n\n\n \n Braga, R. C.; Sabino, J. R.; de Oliveira, V.; and Andrade, C. H.\n\n\n \n\n\n\n Abstracts of Papers of the American Chemical Society, 240. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{RID:0928141827840-11,\ntitle = {Discovery of novel hit compounds for Trypanosoma cruzi sterol 14a-demethylase through structure-based virtual screening},\njournal = {Abstracts of Papers of the American Chemical Society},\nyear = {2010},\nauthor = {Braga, Rodolpho C. and  Sabino, Jose R. and  de Oliveira, Valeria and  Andrade, Carolina H.},\nvolume = {240}\n}

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\n \n 2006\n \n \n (3)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Aspectos toxicológicos e químicos da Anatoxina-a e seus análogos.\n \n \n \n \n\n\n \n Rodríguez, V.; Moura, S.; Pinto, E.; Pereira, C. M. P.; and Braga, R. C.\n\n\n \n\n\n\n Química Nova, 29(6): 1365–1371. dec 2006.\n \n\n\n\n
\n\n\n\n \n \n $\"Aspectos$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Rodr_guez_2006,\tdoi = {10.1590/s0100-40422006000600036},\turl = {https://doi.org/10.1590%2Fs0100-40422006000600036},\tyear = 2006,\tmonth = {dec},\tpublisher = {{FapUNIFESP} ({SciELO})},\tvolume = {29},\tnumber = {6},\tpages = {1365--1371},\tauthor = {Vania Rodr{\\'{\\i}}guez and Sidnei Moura and Ernani Pinto and Claudio M. P. Pereira and Rodolpho Campos Braga},\ttitle = {Aspectos toxicol{\\'{o}}gicos e qu{\\'{\\i}}micos da Anatoxina-a e seus an{\\'{a}}logos},\tjournal = {Qu{\\'{\\i}}mica Nova}}

\n\n\n\n

\n\n\n

\n \n\n \n \n \n \n \n \n Catalytic Applications of Chiral Organoselenium Compounds in Asymmetric Synthesis.\n \n \n \n \n\n\n \n Braga, A.; Lüdtke, D.; Vargas, F.; and Braga, R.\n\n\n \n\n\n\n Synlett, 2006(10): 1453–1466. jun 2006.\n \n\n\n\n
\n\n\n\n \n \n $\"Catalytic$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2006,\tdoi = {10.1055/s-2006-941592},\turl = {https://doi.org/10.1055%2Fs-2006-941592},\tyear = 2006,\tmonth = {jun},\tpublisher = {Georg Thieme Verlag {KG}},\tvolume = {2006},\tnumber = {10},\tpages = {1453--1466},\tauthor = {Antonio Braga and Diogo Lüdtke and Fabr{\\'{\\i}}cio Vargas and Rodolpho Braga},\ttitle = {Catalytic Applications of Chiral Organoselenium Compounds in Asymmetric Synthesis},\tjournal = {Synlett}}

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\n\n\n

\n \n\n \n \n \n \n \n \n Dihydropyrimidin-(2H)-ones obtained by ultrasound irradiation: a new class of potential antioxidant agents.\n \n \n \n \n\n\n \n Stefani, H. A.; Oliveira, C. B.; Almeida, R. B.; Pereira, C. M.; Braga, R. C.; Cella, R.; Borges, V. C.; Savegnago, L.; and Nogueira, C. W.\n\n\n \n\n\n\n European Journal of Medicinal Chemistry, 41(4): 513–518. apr 2006.\n \n\n\n\n
\n\n\n\n \n \n $\"Dihydropyrimidin-(2H)-ones$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Stefani_2006,\tdoi = {10.1016/j.ejmech.2006.01.007},\turl = {https://doi.org/10.1016%2Fj.ejmech.2006.01.007},\tyear = 2006,\tmonth = {apr},\tpublisher = {Elsevier {BV}},\tvolume = {41},\tnumber = {4},\tpages = {513--518},\tauthor = {H{\\'{e}}lio A. Stefani and Carlindo B. Oliveira and Roberta B. Almeida and Claudio M.P. Pereira and Rodolpho C. Braga and Rodrigo Cella and Vanessa C. Borges and Lucielli Savegnago and Cristina W. Nogueira},\ttitle = {Dihydropyrimidin-(2H)-ones obtained by~ultrasound irradiation: a~new class of~potential antioxidant agents},\tjournal = {European Journal of Medicinal Chemistry}}

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\n\n\n\n\n\n

\n\n

\n \n 2005\n \n \n (2)\n \n \n

\n \n \n

\n \n\n \n \n \n \n \n \n Efficient Synthesis of Chiral $˘pbeta$-Seleno Amides via Ring-Opening Reaction of 2-Oxazolines and Their Application in the Palladium-Catalyzed Asymmetric Allylic Alkylation.\n \n \n \n \n\n\n \n Braga, A. L.; Vargas, F.; Sehnem, J. A.; and Braga, R. C.\n\n\n \n\n\n\n The Journal of Organic Chemistry, 70(22): 9021–9024. sep 2005.\n \n\n\n\n
\n\n\n\n \n \n $\"Efficient$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Braga_2005,\tdoi = {10.1021/jo051451a},\turl = {https://doi.org/10.1021%2Fjo051451a},\tyear = 2005,\tmonth = {sep},\tpublisher = {American Chemical Society ({ACS})},\tvolume = {70},\tnumber = {22},\tpages = {9021--9024},\tauthor = {Antonio L. Braga and Fabr{\\'{\\i}}cio Vargas and Jasquer A. Sehnem and Rodolpho C. Braga},\ttitle = {Efficient Synthesis of Chiral $\\upbeta$-Seleno Amides via Ring-Opening Reaction of 2-Oxazolines and Their Application in the Palladium-Catalyzed Asymmetric Allylic Alkylation},\tjournal = {The Journal of Organic Chemistry}}

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\n \n\n \n \n \n \n \n \n A mild and efficient method for halogenation of 3,5-dimethyl pyrazoles by ultrasound irradiation using N-halosuccinimides.\n \n \n \n \n\n\n \n Stefani, H. A.; Pereira, C. M.; Almeida, R. B.; Braga, R. C.; Guzen, K. P.; and Cella, R.\n\n\n \n\n\n\n Tetrahedron Letters, 46(40): 6833–6837. oct 2005.\n \n\n\n\n
\n\n\n\n \n \n $\"A$ Paper\n \n \n\n \n \n doi\n \n \n\n \n link\n \n \n\n bibtex\n \n\n \n\n \n \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n \n \n \n\n\n\n

@article{Stefani_2005,\tdoi = {10.1016/j.tetlet.2005.08.027},\turl = {https://doi.org/10.1016%2Fj.tetlet.2005.08.027},\tyear = 2005,\tmonth = {oct},\tpublisher = {Elsevier {BV}},\tvolume = {46},\tnumber = {40},\tpages = {6833--6837},\tauthor = {H{\\'{e}}lio A. Stefani and Claudio M.P. Pereira and Roberta B. Almeida and Rodolpho C. Braga and Karla P. Guzen and Rodrigo Cella},\ttitle = {A mild and efficient method for halogenation of 3,5-dimethyl pyrazoles by ultrasound irradiation using N-halosuccinimides},\tjournal = {Tetrahedron Letters}}

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