Pharmacophore-based molecular docking to account for ligand flexibility

Proteins: Structure, Function and Genetics

Volumn 51, Issue 2, 2003, Pages 172-188

  Joseph McCarthy, Diane ^a   Thomas IV, Bert E ^a   Belmarsh, Michael ^a   Moustakas, Demetri ^a   Alvarez, Juan C ^a  

^a PFIZER INC   (United States)

Author keywords

Database searching; Pharmacophoric ensembles; PhDOCK; Virtual screening

Indexed keywords

ALGORITHM; ANALYTIC METHOD; ARTICLE; DATA BASE; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULE; PHARMACOPHORE; PRIORITY JOURNAL; VALIDATION PROCESS;

ALGORITHMS; BINDING SITES; BINDING, COMPETITIVE; DATABASES, PROTEIN; DRUG DESIGN; HIV PROTEASE; LIGANDS; METHOTREXATE; METHYLUREA COMPOUNDS; MODELS, MOLECULAR; NADP; PROTEIN CONFORMATION; PROTEINS; PYRIDINES; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 0037402105     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10266     Document Type: Article

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