title: Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation.
authors.affiliation: Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 725 Rose Street, Lexington, KY 40536, USA.
authors.forename: Daquan
authors.initials: D
authors.lastname: Gao
authors.forename: Hoon
authors.initials: H
authors.lastname: Cho
authors.forename: Wenchao
authors.initials: W
authors.lastname: Yang
authors.forename: Yongmei
authors.initials: Y
authors.lastname: Pan
authors.forename: Guangfu
authors.initials: G
authors.lastname: Yang
authors.forename: Hsin-Hsiung
authors.initials: HH
authors.lastname: Tai
authors.forename: Chang-Guo
authors.initials: CG
authors.lastname: Zhan
mesh_terms: D001665:Binding Sites; D002091:Butyrylcholinesterase / Q000737:chemistry* / Q000235:genetics; D002384:Catalysis; D003042:Cocaine / Q000737:chemistry*; D019295:Computational Biology; D017076:Computer-Aided Design; D004789:Enzyme Activation; D006801:Humans; D006860:Hydrogen Bonding; D006868:Hydrolysis; D015394:Molecular Structure; D009154:Mutation; D013237:Stereoisomerism
chemical_list: D002091:Butyrylcholinesterase; D003042:Cocaine