Computational design of a human butyrylcholinesterase mutant for accelerating cocaine hydrolysis based on the transition-state simulation

Angewandte Chemie - International Edition

Volumn 45, Issue 4, 2006, Pages 653-657

  Gao, Daquan ^a   Cho, Hoon ^a   Yang, Wenchao ^a   Pan, Yongmei ^a   Yang, Guangfu ^a   Tai, Hsin Hsiung ^a   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

Author keywords

Cocaine; Enzymes; Molecular dynamics; Protein engineering; Transition states

Indexed keywords

COCAINE; MUTANT; PROTEIN ENGINEERING; TRANSITION STATES;

COMPUTER SIMULATION; ENZYMES; HYDROLYSIS; MOLECULAR DYNAMICS; MUTAGENESIS; PHASE TRANSITIONS;

DRUG PRODUCTS;

CHOLINESTERASE; COCAINE;

ARTICLE; BINDING SITE; BIOLOGY; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; ENZYME ACTIVATION; GENETICS; HUMAN; HYDROGEN BOND; HYDROLYSIS; MUTATION; STEREOISOMERISM;

BINDING SITES; BUTYRYLCHOLINESTERASE; CATALYSIS; COCAINE; COMPUTATIONAL BIOLOGY; COMPUTER-AIDED DESIGN; ENZYME ACTIVATION; HUMANS; HYDROGEN BONDING; HYDROLYSIS; MOLECULAR STRUCTURE; MUTATION; STEREOISOMERISM;

EID: 31044435861     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200503025     Document Type: Article

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