Evaluation of docking/scoring approaches: A comparative study based on MMP3 inhibitors

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 5, 2000, Pages 435-448

  Ha, Sookhee ^a,b   Andreani, Romana ^a   Robbins, Arthur ^a   Muegge, Ingo ^a  

^a BAYER CORPORATION   (United States)

^b MERCK RESEARCH LABORATORIES   (United States)

Author keywords

DOCK; FlexX; PMF scoring; Protein ligand binding; Stromelysin

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; FUNCTION EVALUATION;

BINDING AFFINITIES; BINDING MODES; COMPARATIVES STUDIES; FLEXX; LIGAND BINDING; PMF SCORING; PROTEIN LIGANDS; PROTEIN-LIGAND BINDING; SCORING FUNCTIONS; STROMELYSIN;

LIGANDS;

STROMELYSIN; STROMELYSIN INHIBITOR;

ALGORITHM; ARTICLE; BINDING AFFINITY; BINDING SITE; COMPARATIVE STUDY; CONTROLLED STUDY; CRYSTAL STRUCTURE; ELECTRIC CURRENT; ELECTRICITY; ENZYME ANALYSIS; ENZYME BINDING; NONHUMAN; PRIORITY JOURNAL; SCORING SYSTEM;

EID: 0034081944     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008137707965     Document Type: Article

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