Estimation of binding affinities for selective thrombin inhibitors via Monte Carlo simulations

Journal of Medicinal Chemistry

Volumn 44, Issue 7, 2001, Pages 1043-1050

  Pierce, A C ^a   Jorgensen, W L ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

THROMBIN; THROMBIN INHIBITOR; WATER;

ARTICLE; BINDING AFFINITY; CHEMICAL BOND; DRUG STRUCTURE; HYDROGEN BOND; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; PREDICTION; SIMULATION; SYSTEM ANALYSIS; THERMODYNAMICS;

BINDING SITES; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN BINDING; REGRESSION ANALYSIS; THERMODYNAMICS; THROMBIN;

EID: 0035966872     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm000405u     Document Type: Article

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