Docking and scoring with alternative side-chain conformations

Proteins: Structure, Function and Bioinformatics

Volumn 74, Issue 3, 2009, Pages 712-726

  Hartmann, Christoph ^a   Antes, Iris ^a   Lengauer, Thomas ^a  

^a MAX PLANCK INSTITUTE FOR INFORMATICS   (Germany)

Author keywords

Docking; Flexe; Homo logy modeling; IRECS; ROTA; Scoring function; Soft potentials

Indexed keywords

DOCKING PROTEIN; LIGAND; PROTEIN;

ARTICLE; BINDING AFFINITY; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SCORING SYSTEM; SEQUENCE HOMOLOGY; X RAY ANALYSIS; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DRUG DESIGN; METABOLISM;

BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN CONFORMATION; PROTEINS;

EID: 59849126340     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22189     Document Type: Article

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