{"_id":"nmhKMEewBKSfXv36N","bibbaseid":"braga-alves-fraga-barreiro-deoliveira-andrade-combinationofdockingmoleculardynamicsandquantummechanicalcalculationsformetabolismpredictionof34methylenedioxybenzoyl2thienylhydrazone-2012","author_short":["Braga, R. C","Alves, V.","Fraga, C. A.","Barreiro, E. J","de Oliveira, V.","Andrade, C. H"],"bibdata":{"bibtype":"article","type":"article","title":"Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3, 4-methylenedioxybenzoyl-2-thienylhydrazone","author":[{"propositions":[],"lastnames":["Braga"],"firstnames":["Rodolpho","C"],"suffixes":[]},{"propositions":[],"lastnames":["Alves"],"firstnames":["Vinı́cius M"],"suffixes":[]},{"propositions":[],"lastnames":["Fraga"],"firstnames":["Carlos","AM"],"suffixes":[]},{"propositions":[],"lastnames":["Barreiro"],"firstnames":["Eliezer","J"],"suffixes":[]},{"propositions":["de"],"lastnames":["Oliveira"],"firstnames":["Valéria"],"suffixes":[]},{"propositions":[],"lastnames":["Andrade"],"firstnames":["Carolina","H"],"suffixes":[]}],"journal":"Journal of molecular modeling","volume":"18","pages":"2065–2078","year":"2012","publisher":"Springer-Verlag","bibtex":"@article{braga2012combination,\n title={Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3, 4-methylenedioxybenzoyl-2-thienylhydrazone},\n author={Braga, Rodolpho C and Alves, Vin{\\'\\i}cius M and Fraga, Carlos AM and Barreiro, Eliezer J and de Oliveira, Val{\\'e}ria and Andrade, Carolina H},\n journal={Journal of molecular modeling},\n volume={18},\n pages={2065--2078},\n year={2012},\n publisher={Springer-Verlag}\n}\n\n","author_short":["Braga, R. C","Alves, V.","Fraga, C. A.","Barreiro, E. J","de Oliveira, V.","Andrade, C. H"],"key":"braga2012combination","id":"braga2012combination","bibbaseid":"braga-alves-fraga-barreiro-deoliveira-andrade-combinationofdockingmoleculardynamicsandquantummechanicalcalculationsformetabolismpredictionof34methylenedioxybenzoyl2thienylhydrazone-2012","role":"author","urls":{},"metadata":{"authorlinks":{}}},"bibtype":"article","biburl":"https://bibbase.org/network/files/tRwi8jfeoq2LYEWHi","dataSources":["DEKpL8PZM9vqLRZzH","ZFsz6AyLD8GfFnDEv"],"keywords":[],"search_terms":["combination","docking","molecular","dynamics","quantum","mechanical","calculations","metabolism","prediction","methylenedioxybenzoyl","thienylhydrazone","braga","alves","fraga","barreiro","de oliveira","andrade"],"title":"Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3, 4-methylenedioxybenzoyl-2-thienylhydrazone","year":2012}