MiniMuDS: A new optimizer using knowledge-based potentials improves scoring of docking solutions

Journal of Chemical Information and Modeling

Volumn 51, Issue 6, 2011, Pages 1423-1430

  Spitzmüller, Andreas ^a   Velec, Hans F G ^a,b   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b ABBOTT GMBH AND CO KG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION;

DOCKING SOLUTIONS; KNOWLEDGE BASED; LOCAL OPTIMIZATIONS; OPTIMIZATION TECHNIQUES; PROTEIN-LIGAND COMPLEXES; ROOT MEAN SQUARE DEVIATIONS; SEARCH ALGORITHMS; SMALL MOLECULES;

KNOWLEDGE BASED SYSTEMS;

LIGAND;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; REPRODUCIBILITY; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; REPRODUCIBILITY OF RESULTS; SOFTWARE;

EID: 79959740108     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200098v     Document Type: Article

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