Drug-like bioactive structures and conformational coverage with the ligprep/confgen suite: Comparison to programs MOE and catalyst

Journal of Chemical Information and Modeling

Volumn 50, Issue 5, 2010, Pages 822-839

  Chen, I Jen ^a   Foloppe, Nicolas ^a  

^a Vernalis PLC   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CATALYSTS; CELL PROLIFERATION; OPTIMIZATION;

BINDING MODES; COMPUTATION TIME; CONFORMATIONAL SAMPLINGS; INPUT PARAMETER; NEW PROTOCOL; SMALL MOLECULES; SOFTWARE SUITE;

CONFORMATIONS;

LIGAND; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; METABOLISM; MOLECULAR LIBRARY; PROTEIN BINDING;

DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS; SMALL MOLECULE LIBRARIES; SOFTWARE;

EID: 77952750760     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100026x     Document Type: Article

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