Identification and mapping of small-molecule binding sites in proteins: Computational tools for structure-based drug design

Farmaco

Volumn 57, Issue 3, 2002, Pages 243-251

  Sotriffer, Christoph ^a   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Binding site characterization; Cavity detection; Protein structures; Protein ligand complexes

Indexed keywords

LIGAND; PROTEIN;

BINDING SITE; CALCULATION; DATA BASE; DRUG DESIGN; GENE MAPPING; MEDICAL INFORMATION; MOLECULAR RECOGNITION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN ANALYSIS; PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTEIN TARGETING; REVIEW; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY; ARTIFICIAL INTELLIGENCE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; FACTUAL DATABASE; PROTEIN CONFORMATION; QUALITY CONTROL; REPRODUCIBILITY; SEQUENCE HOMOLOGY; STRUCTURE ACTIVITY RELATION;

ARTIFICIAL INTELLIGENCE; BINDING SITES; COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; QUALITY CONTROL; REPRODUCIBILITY OF RESULTS; SEQUENCE HOMOLOGY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036510961     PISSN: 0014827X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0014-827X(02)01211-9     Document Type: Review

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