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Journal of Computer-Aided Molecular Design

Volumn 18, Issue 10, 2004, Pages 635-650

Unsupervised guided docking of covalently bound ligands

(3) Fradera, Xavier a Kaur, Jasmit a,b Mestres, Jordi a,c

a MERCK RESEARCH LABORATORIES (United States)

b OSI Pharmaceuticals (United Kingdom)

c UNIVERSITAT POMPEU FABRA (Spain)

Author keywords

Covalently bound ligands; Molecular similarity; Protein ligand docking; Thrombin; Virtual screening

Indexed keywords

BINDING ENERGY; LIGANDS;

BOUND LIGANDS; COVALENTLY BOUND; COVALENTLY BOUND LIGAND; DOCKING PROGRAMS; MOLECULAR SIMILARITY; NON-NATIVE; PROTEIN-LIGAND DOCKING; PROTEINS STRUCTURES; THROMBIN; VIRTUAL SCREENING;

ENZYMES;

ENZYME; LIGAND; RECEPTOR; THROMBIN INHIBITOR;

ARTICLE; COMPLEX FORMATION; COMPUTER PROGRAM; CONTROLLED STUDY; COVALENT BOND; DATA BASE; LIGAND BINDING; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN STRUCTURE;

EID: 13944274970 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1007/s10822-004-5291-4 Document Type: Article

Times cited : (19)

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