Free Energy Perturbation (FEP) Simulation on the Transition States of Cocaine Hydrolysis Catalyzed by Human Butyrylcholinesterase and Its Mutants
Yongmei Pan(University of Kentucky), Chang‐Guo Zhan(University of Kentucky), Wen‐Chao Yang(Guizhou University), Hoon Cho(California Institute of Technology), Daquan Gao(California Institute of Technology)
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