Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, snd virtual screening

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 12, 2002, Pages 883-902

  Zavodsky, Maria I ^a   Sanschagrin, Paul C ^a,c   korde, Rajesh S ^a,b   kuhn, Leslie A ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b Michigan State University   (United States)

^c PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

3 D pharmacophore; Drug design; Glutathione S transferase; Molecular recognition; Protein ligand interactions; SLIDE; Template based design; Thrombin; Virtual screening

Indexed keywords

CRYSTAL ORIENTATION; DESIGN; ENZYMES; HYDROGEN BONDS; KNOWLEDGE BASED SYSTEMS; MOLECULES; PEPTIDES;

3-D PHARMACOPHORE; DRUG DESIGN; GLUTATHIONE S-TRANSFERASES; PHARMACOPHORES; PROTEIN-LIGAND INTERACTIONS; SLIDE; TEMPLATE-BASED; TEMPLATE-BASED DESIGN; THROMBIN; VIRTUAL SCREENING;

LIGANDS;

GLUTATHIONE TRANSFERASE; LIGAND; PROTEIN; THROMBIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DATA BASE; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE; PROTEIN TARGETING; SCORING SYSTEM;

EID: 0038174853     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023866311551     Document Type: Article

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