Molecular-modeling calculations of enzymatic enantioselectivity taking hydration into account

Biotechnology and Bioengineering

Volumn 57, Issue 6, 1998, Pages 741-745

  Ke, Tao ^a   Tidor, Bruce ^a   Klibanov, Alexander M ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Chymotrypsin; Continuum electrostatics; Enantioselectivity; Enzymes; Molecular mechanics; Solration

Indexed keywords

CATALYST SELECTIVITY; CONTINUUM MECHANICS; ELECTROSTATICS; HYDRATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SOLVENTS; SUBSTRATES; VACUUM APPLICATIONS;

CHYMOTRYPSIN; CONTINUUM SOLVATION METHOD; ENANTIOSELECTIVITY;

ENZYMES;

CHYMOTRYPSIN A;

ARTICLE; ENANTIOMER; ENZYME CONFORMATION; ENZYME SUBSTRATE COMPLEX; HYDRATION; MATHEMATICAL MODEL; STEREOCHEMISTRY; STRUCTURE ANALYSIS;

CHYMOTRYPSIN; ENZYMES; MODELS, MOLECULAR; PROTEIN CONFORMATION; STEREOISOMERISM; VACUUM; WATER;

EID: 0032549599     PISSN: 00063592     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0290(19980320)57:6<741::AID-BIT11>3.0.CO;2-A     Document Type: Article

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