A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 8-9, 2002, Pages 653-681

  Patel, Yogendra ^a,b   Gillet, Valerie J ^a   Bravi, Gianpaolo ^c   Leach, Andrew R ^c  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b EVOTEC UK LTD   (United Kingdom)

^c GLAXOSMITHKLINE   (United Kingdom)

Author keywords

Conformational flexibility; Pharmacophore identification; Pharmacophoric features; Protein ligand interactions; Structural alignment

Indexed keywords

ENZYMES; LIGANDS; PHARMACODYNAMICS;

CONFORMATIONAL FLEXIBILITY; PHARMACOPHORE IDENTIFICATION; PHARMACOPHORES; PHARMACOPHORIC FEATURE; PROTEIN DATA BANK; PROTEIN FAMILY; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; STRUCTURAL ALIGNMENTS; ]+ CATALYST;

COMPLEXATION;

CYCLIN DEPENDENT KINASE 2; DIHYDROFOLATE REDUCTASE; LIGAND; PROTEIN; RNA DIRECTED DNA POLYMERASE; THERMOLYSIN; THROMBIN;

ARTICLE; CATALYSIS; CHIRALITY; COMPLEX FORMATION; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; DATA BASE; INTERMETHOD COMPARISON; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN CONFORMATION; PROTEIN FAMILY; PROTEIN STRUCTURE; PROTEIN TARGETING; QUALITATIVE ANALYSIS; RECEPTOR BINDING; STATISTICAL MODEL; STRUCTURE ANALYSIS;

EID: 0036706746     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1021954728347     Document Type: Article

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