Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 3, 1999, Pages 221-232

  Bursi, Roberta ^a   Grootenhuis, Peter D J ^a,b  

^a NV ORGANON   (Netherlands)

^b Formerly CombiChem Inc   (United States)

Author keywords

CoMFA; Drug design; Inhibitor; Molecular modelling; Protease; Scoring function

Indexed keywords

STRUCTURAL OPTIMIZATION;

COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG DESIGN; ENERGY INTERACTIONS; FIELD ENERGY; INHIBITOR; INHIBITOR-COMPLEX; INTERACTION ENERGIES; PROTEASE; SCORING FUNCTIONS; THROMBIN INHIBITORS;

ENZYMES;

ARGATROBAN; BM 12 1668; BM 12 1684; BM 14 1196; BM 14 1203; BM 14 1224; BM 14 1238; BM 14 1241; BM 14 1243; BM 14 1244; BM 14 1248; PARACETAMOL; THROMBIN INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; GEOMETRY; LIGAND BINDING; MOLECULAR INTERACTION; PRIORITY JOURNAL; THROMBOGENESIS; THROMBOSIS;

EID: 0033004250     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008010016362     Document Type: Article

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