Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase

Biophysical Journal

Volumn 96, Issue 5, 2009, Pages 1931-1938

  Yang, Wenchao ^a,b   Pan, Yongmei ^b   Zheng, Fang ^b   Cho, Hoon ^b   Tai, Hsin Hsiung ^b   Zhan, Chang Guo ^b  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b University of Kentucky   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHOLINESTERASE; COCAINE; MUTANT PROTEIN;

ARTICLE; CHEMICAL MUTAGENESIS; CONTROLLED STUDY; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME MECHANISM; ENZYME STRUCTURE; HUMAN; HUMAN CELL; MOLECULAR DYNAMICS; MUTANT; NONHUMAN; PROTEIN HYDROLYSIS; SIMULATION; WILD TYPE; ALGORITHM; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; GENETICS; KINETICS; MUTATION; PROTEIN ENGINEERING;

ALGORITHMS; BUTYRYLCHOLINESTERASE; CATALYSIS; COCAINE; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; HUMANS; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MUTANT PROTEINS; MUTATION; PROTEIN ENGINEERING;

EID: 65549130638     PISSN: 00063495     EISSN: 15420086     Source Type: Journal    
DOI: 10.1016/j.bpj.2008.11.051     Document Type: Article

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