Simulated (un) binding of arachidonic acid in the cyclooxygenase site of prostaglandin H2 synthase-1

Progress in Reaction Kinetics and Mechanism

Volumn 25, Issue 3, 2000, Pages 263-298

  Molnar, Ferenc ^a   Norris, Lawrence S ^a   Schulten, Klaus ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Enzyme substrate binding; Forced binding; Forced unbinding; Pathways; Steered molecular dynamics; Targeted molecular dynamics

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; ENZYMES; HYDROGEN BONDS; MOLECULAR DYNAMICS; WATER;

ARACHIDONIC ACID; CYCLOOXYGENASE; ENZYME-SUBSTRATE BINDING; FORCED BINDING; FORCED UNBINDING; PROSTAGLANDIN; STEERED MOLECULAR DYNAMICS; TARGETED MOLECULAR DYNAMICS;

FATTY ACIDS;

EID: 0034464230     PISSN: 14686783     EISSN: None     Source Type: Journal    
DOI: 10.3184/007967400103165155     Document Type: Article

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