Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method

Journal of Medicinal Chemistry

Volumn 40, Issue 10, 1997, Pages 1539-1549

  Jones Hertzog, Deborah K ^a,b   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

^b NEUROGEN CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARGATROBAN; ARGININE; DISULFIDE; FIBRIN; FIBRINOGEN; GLUTAMIC ACID; LYSINE; METHYL GROUP; PLASMA PROTEIN; SULFONAMIDE; THROMBIN;

ARTICLE; BINDING AFFINITY; CRYSTALLOGRAPHY; ENERGY; HYDROPHOBICITY; SIMULATION; SYSTEM ANALYSIS; THROMBOGENESIS;

ANTITHROMBINS; BINDING SITES; HUMANS; HYDROGEN BONDING; MONTE CARLO METHOD; PIPECOLIC ACIDS; THERMODYNAMICS; THROMBIN;

EID: 0030906731     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm960684e     Document Type: Article

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