Probing the acetylcholinesterase inhibition of sarin: A comparative interaction study of the inhibitor and acetylcholine with a model enzyme cavity

Journal of Physical Chemistry B

Volumn 110, Issue 27, 2006, Pages 13597-13607

  Majumdar, D ^a   Roszak, Szczepan ^b   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ACETYLCHOLINE; ENZYME CAVITY; INTERACTION ENERGIES; ONIOM HYBRID CALCULATIONS;

ENZYME INHIBITION;

EID: 33746354623     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061497n     Document Type: Article

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