Mouse acetylcholinesterase unliganded and in complex with huperzine A: A comparison of molecular dynamics simulations

Biopolymers

Volumn 50, Issue 1, 1999, Pages 35-43

  Tara, Sylvia ^a   Straatsma, T P ^b   McCammon, J Andrew ^a,c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c San Diego   (United States)

Author keywords

Acetylcholinesterase; Active site gorge; Backdoor; Gating; Huperzine A; Molecular dynamics simulations; Side channel

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

ACETYLCHOLINESTERASE;

ENZYMES;

ACETYLCHOLINESTERASE; HUPERZINE A;

ARTICLE; CHANNEL GATING; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DYNAMICS; MOUSE; NONHUMAN; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; SIMULATION;

ACETYLCHOLINESTERASE; ANIMALS; CATALYTIC DOMAIN; LIGANDS; MICE; MODELS, MOLECULAR; PROTEIN CONFORMATION; SESQUITERPENES; THERMODYNAMICS;

EID: 0033033411     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0282(199907)50:1<35::AID-BIP4>3.0.CO;2-6     Document Type: Article

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