Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies. Bueno, R. V., Toledo, N. R., Neves, B. J., Braga, R. C., & Andrade, C. H. Journal of Molecular Modeling, 19(1):179–192, Springer Science and Business Media LLC, jul, 2012.
Paper doi bibtex @article{Bueno_2012, doi = {10.1007/s00894-012-1527-8}, url = {https://doi.org/10.1007%2Fs00894-012-1527-8}, year = 2012, month = {jul}, publisher = {Springer Science and Business Media {LLC}}, volume = {19}, number = {1}, pages = {179--192}, author = {Renata V. Bueno and Ney R. Toledo and Bruno J. Neves and Rodolpho C. Braga and Carolina H. Andrade}, title = {Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based {QSAR} and {QM}/{MM} docking studies}, journal = {Journal of Molecular Modeling}}
Downloads: 0
{"_id":"H7bLjmtxrADThz6zs","bibbaseid":"bueno-toledo-neves-braga-andrade-structuralandchemicalbasisforenhancedaffinitytoaseriesofmycobacterialthymidinemonophosphatekinaseinhibitorsfragmentbasedqsarandqmmmdockingstudies-2012","author_short":["Bueno, R. V.","Toledo, N. R.","Neves, B. J.","Braga, R. C.","Andrade, C. H."],"bibdata":{"bibtype":"article","type":"article","doi":"10.1007/s00894-012-1527-8","url":"https://doi.org/10.1007%2Fs00894-012-1527-8","year":"2012","month":"jul","publisher":"Springer Science and Business Media LLC","volume":"19","number":"1","pages":"179–192","author":[{"firstnames":["Renata","V."],"propositions":[],"lastnames":["Bueno"],"suffixes":[]},{"firstnames":["Ney","R."],"propositions":[],"lastnames":["Toledo"],"suffixes":[]},{"firstnames":["Bruno","J."],"propositions":[],"lastnames":["Neves"],"suffixes":[]},{"firstnames":["Rodolpho","C."],"propositions":[],"lastnames":["Braga"],"suffixes":[]},{"firstnames":["Carolina","H."],"propositions":[],"lastnames":["Andrade"],"suffixes":[]}],"title":"Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies","journal":"Journal of Molecular Modeling","bibtex":"@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}}","author_short":["Bueno, R. V.","Toledo, N. R.","Neves, B. J.","Braga, R. C.","Andrade, C. H."],"key":"Bueno_2012","id":"Bueno_2012","bibbaseid":"bueno-toledo-neves-braga-andrade-structuralandchemicalbasisforenhancedaffinitytoaseriesofmycobacterialthymidinemonophosphatekinaseinhibitorsfragmentbasedqsarandqmmmdockingstudies-2012","role":"author","urls":{"Paper":"https://doi.org/10.1007%2Fs00894-012-1527-8"},"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://rcbraga.github.io/works.bib","dataSources":["inNi9Sg7nSdT4a2JX"],"keywords":[],"search_terms":["structural","chemical","basis","enhanced","affinity","series","mycobacterial","thymidine","monophosphate","kinase","inhibitors","fragment","based","qsar","docking","studies","bueno","toledo","neves","braga","andrade"],"title":"Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies","year":2012}