Comparative assessment of scoring functions on an updated benchmark: 1. compilation of the test set

Journal of Chemical Information and Modeling

Volumn 54, Issue 6, 2014, Pages 1700-1716

  Li, Yan ^a   Liu, Zhihai ^a   Li, Jie ^a   Han, Li ^a   Liu, Jie ^a   Zhao, Zhixiong ^a   Wang, Renxiao ^a,b  

^a SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY   (China)

^b MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Macao)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; BINDING ENERGY; COMPLEXATION; MOLECULES; PROTEINS;

COMPARATIVE ASSESSMENT; FUTURE IMPROVEMENTS; LIGAND BINDING AFFINITY; ORDERS OF MAGNITUDE; POTENTIAL DRUG TARGETS; PRACTICAL GUIDANCE; PROTEIN-LIGAND COMPLEXES; PUBLICLY ACCESSIBLE;

LIGANDS;

LIGAND; PROTEIN; PROTEIN BINDING;

ALGORITHM; CHEMISTRY; CLUSTER ANALYSIS; COMPARATIVE STUDY; COMPUTER PROGRAM; DRUG DESIGN; METABOLISM; MOLECULAR DOCKING; PROTEIN DATABASE; THERMODYNAMICS;

ALGORITHMS; CLUSTER ANALYSIS; DATABASES, PROTEIN; DRUG DESIGN; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEINS; SOFTWARE; THERMODYNAMICS;

EID: 84903302003     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500080q     Document Type: Article

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