Facing the challenges of structure-based target prediction by inverse virtual screening

Journal of Chemical Information and Modeling

Volumn 54, Issue 6, 2014, Pages 1676-1686

  Schomburg, Karen T ^a   Bietz, Stefan ^a   Briem, Hans ^b   Henzler, Angela M ^a   Urbaczek, Sascha ^a   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b BAYER PHARMA AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; FORECASTING; LIGANDS; PROTEINS;

BIOACTIVE COMPOUNDS; INDIVIDUAL PROTEINS; PREDICTION CAPABILITY; PROTEIN STRUCTURES; PROTEIN-LIGAND DOCKING; ROOT MEAN SQUARE DEVIATIONS; SCREENING METHODS; STATISTICAL EVALUATION;

INVERSE PROBLEMS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; BINDING SITE; CHEMISTRY; COMPUTER PROGRAM; DRUG DESIGN; METABOLISM; MOLECULAR DOCKING; PROTEIN CONFORMATION; PROTEIN DATABASE;

ALGORITHMS; BINDING SITES; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SOFTWARE;

EID: 84903286855     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500130e     Document Type: Article

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