A 240-fold electrostatic rate-enhancement for acetylcholinesterase-substrate binding can be predicted by the potential within the active site

Journal of the American Chemical Society

Volumn 118, Issue 51, 1996, Pages 13069-13070

  Zhou, Huan Xiang ^a   Briggs, James M ^b   McCammon, J Andrew ^b  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLCHOLINESTERASE;

ARTICLE; ENZYME BINDING; ENZYME SUBSTRATE; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; THERMODYNAMICS;

EID: 0030462735     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja963134e     Document Type: Article

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12. -1 at a 150 mM ionic strength by BD simulations. The electrostatic rate enhancement is thus 90-fold. This is smaller than 〈exp(-βU)〉 by a factor of 17.
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