CSAR scoring challenge reveals the need for new concepts in estimating protein-ligand binding affinity

Journal of Chemical Information and Modeling

Volumn 51, Issue 9, 2011, Pages 2090-2096

  Novikov, Fedor N ^a   Zeifman, Alexey A ^b   Stroganov, Oleg V ^a,b   Stroylov, Viktor S ^a   Kulkov, Val ^c   Chilov, Ghermes G ^a,b  

^a MolTech Ltd   (Russian Federation)

^b N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^c BioMolTech Corp   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; HYDROGEN BONDS; LIGANDS; MOLECULES; PROTEINS; SOFTWARE TESTING; VAN DER WAALS FORCES;

ACCURACY PREDICTION; EXPERIMENTAL VALUES; MOLECULAR MECHANICALS; PREDICTION ACCURACY; PROTEIN FLEXIBILITY; PROTEIN-LIGAND BINDING AFFINITIES; SINGLE-POINT ENERGY; VAN DER WAALS INTERACTIONS;

FORECASTING;

LIGAND; PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; PROTEIN BINDING;

LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEINS;

EID: 80053308905     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200034y     Document Type: Article

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