CYP1B1- and CYP1A1-Template systems and their application to metabolism and inhibition
Yasushi Yamazoe, Kaori Ambe, Masahiro Tohkin, Takashi Yamada et autres
Prediction of cytochrome P450 (CYP)-mediated metabolism is crucial for assessing the safety of chemicals. An in silico system to reproduce CYP1B1-mediated reactions has been developed by the reverse construction of ligand-accessible spaces from ligand assemblies as a fused grid Template* system. There …
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