Placement of medium-sized molecular fragments into active sites of proteins

Journal of Computer-Aided Molecular Design

Volumn 10, Issue 1, 1996, Pages 41-54

  Rarey, Matthias ^a   Wefing, Stephan ^a   Lengauer, Thomas ^a  

^a FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

Author keywords

Conformational analysis; Drug design; Flexible docking; Molecular docking; Molecular flexibility; Receptor ligand interaction

Indexed keywords

CONFORMATIONS; MOLECULES; PATTERN RECOGNITION;

ACTIVE SITE; CONFORMATIONAL ANALYSIS; DRUG DESIGN; FLEXIBLE DOCKING; LOW-ENERGY CONFORMATIONS; MOLECULAR DOCKING; MOLECULAR FLEXIBILITY; MOLECULAR FRAGMENTS; RECEPTOR-LIGAND INTERACTIONS; RING SYSTEMS;

LIGANDS;

LIGAND; PEPTIDE FRAGMENT; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; FACTUAL DATABASE;

ALGORITHMS; BINDING SITES; DATABASES, FACTUAL; LIGANDS; MODELS, CHEMICAL; PEPTIDE FRAGMENTS; PROTEINS; SOFTWARE;

EID: 0030076041     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00124464     Document Type: Article

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