A model for the binding of low molecular weight inhibitors to the active site of thrombin

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 6, 1999, Pages 579-588

  Allen, Mark C ^a,b   Cockcroft, Xiao Ling Fan ^a,c   Gruetter, Markus G ^a,d   Priestle, John P ^a,e  

^a NOVARTIS HORSHAM RESEARCH CENTRE   (United Kingdom)

^b Tripos Receptor Research Ltd   (United Kingdom)

^c Cantab Pharmaceuticals Ltd   (United Kingdom)

^d UNIVERSITY OF ZURICH   (Switzerland)

^e NOVARTIS PHARMA AG   (Switzerland)

Author keywords

Anti thrombotics; Conformational searching; Molecular mechanics; X ray coordinates

Indexed keywords

AMINO ACIDS; ENZYMES; GEOMETRY; MOLECULAR MECHANICS; MOLECULAR WEIGHT; X RAY CRYSTALLOGRAPHY;

ACTIVE SITE; ACTIVE-SITE MODELING; ANTI-THROMBOTIC; BINDING CONFORMATIONS; CONFORMATIONAL SEARCHING; LOW MOLECULAR WEIGHT; RAY COORDINATES; SERINE PROTEASE; X-RAY COORDINATE; X-RAY CRYSTALLOGRAPHIC STRUCTURES;

LIGANDS;

ANTITHROMBIN; LIGAND; THROMBIN;

ARTICLE; COMPUTER AIDED DESIGN; CRYSTAL STRUCTURE; DRUG BINDING; DRUG CONFORMATION; ENZYME ACTIVE SITE; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR WEIGHT; PRIORITY JOURNAL;

EID: 0032694096     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008098615891     Document Type: Article

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