Comprehensive global energy minimum modeling of the sarin-serine adduct

Journal of Physical Chemistry B

Volumn 109, Issue 2, 2005, Pages 1006-1014

  Wang, Jing ^a   Roszak, Szczepan ^a,b   Gu, Jiande ^a,c   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^c SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC REACTION; FUNCTIONAL GROUPS; SERINE HYDROLASES;

CATALYST ACTIVITY; CHEMICAL BONDS; CONFORMATIONS; ELECTRONIC STRUCTURE; ENZYMES; FREE ENERGY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; THERMODYNAMICS;

QUANTUM THEORY;

SARIN; SERINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; QUANTUM THEORY; SURFACE PROPERTY; TIME;

COMPUTER SIMULATION; ENERGY TRANSFER; MODELS, CHEMICAL; QUANTUM THEORY; SARIN; SERINE; SURFACE PROPERTIES; TIME FACTORS;

EID: 13244292472     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040574g     Document Type: Article

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