Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge

Biopolymers

Volumn 46, Issue 7, 1998, Pages 465-474

  Tara, Sylvia ^a   Elcock, Adrian H ^b   Kirchhoff, Paul D ^a   Briggs, James M ^b   Radic, Zoran ^b   Taylor, Palmer ^b   McCammon, J Andrew ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b San Diego   (United States)

Author keywords

Acetylcholinesterase; Active site gorge; Brownian dynamics simulations; Electrostatic attraction

Indexed keywords

BROWNIAN MOVEMENT; COMPUTER SIMULATION; ELECTRIC POTENTIAL; ELECTROSTATICS; MOLECULAR DYNAMICS; RATE CONSTANTS;

ACETYLCHOLINESTERASE; ACTIVE SITE GORGE; ELECTROSTATIC ATTRACTION;

ENZYMES;

ACETYLCHOLINESTERASE;

ARTICLE; BINDING AFFINITY; ELECTRIC POTENTIAL; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME CONFORMATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOUSE; NONHUMAN;

EID: 0032402388     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-0282(199812)46:7<465::aid-bip4>3.0.co;2-y     Document Type: Article

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