Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases

Proteins: Structure, Function and Genetics

Volumn 51, Issue 2, 2003, Pages 189-202

  Joseph McCarthy, Diane ^a   Alvarez, Juan C ^a  

^a PFIZER INC   (United States)

Author keywords

Fragment positioning methods; MCSS2SPTS; Multiple copy simultaneous search; Pharmacophore based molecular docking; PhDOCK; Theoretical pharmacophores; Virtual screening

Indexed keywords

ACYL CARRIER PROTEIN; PROTEINASE;

ANALYTIC METHOD; ARTICLE; AUTOMATION; BINDING SITE; CHEMICAL LABELING; DATA BASE; HUMAN IMMUNODEFICIENCY VIRUS 1; LIGAND BINDING; MOLECULAR DYNAMICS; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE;

BINDING SITES; BINDING, COMPETITIVE; COENZYME A; DATABASES, PROTEIN; DRUG DESIGN; HIV PROTEASE; LIGANDS; MACROPHAGE MIGRATION-INHIBITORY FACTORS; METHOTREXATE; METHYLUREA COMPOUNDS; MODELS, MOLECULAR; NADP; PHENYLPYRUVIC ACIDS; PROTEINS; PYRIDINES; SOFTWARE; TETRAHYDROFOLATE DEHYDROGENASE; TRANSFERASES (OTHER SUBSTITUTED PHOSPHATE GROUPS);

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1; RUMEX;

EID: 0037402655     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10296     Document Type: Article

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