Combined Approach of Patch-Surfer and PL-PatchSurfer for Protein-Ligand Binding Prediction in CSAR 2013 and 2014

Journal of Chemical Information and Modeling

Volumn 56, Issue 6, 2016, Pages 1088-1099

  Zhu, Xiaolei ^a,b   Shin, Woong Hee ^b   Kim, Hyungrae ^b   Kihara, Daisuke ^b,c  

^a ANHUI UNIVERSITY   (China)

^b PURDUE UNIVERSITY   (United States)

^c Purdue University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; BINDING ENERGY; FORECASTING; PROTEINS;

BINDING AFFINITIES; BINDING LIGANDS; BINDING PROTEINS; COMMUNITY STRUCTURES; MOLECULAR SURFACES; PROTEIN LIGANDS; PROTEIN-LIGAND DOCKING; SCORING FUNCTIONS;

LIGANDS;

LIGAND; PROTEIN; PROTEIN BINDING;

BENCHMARKING; BIOLOGY; CHEMISTRY; DRUG DATABASE; DRUG DESIGN; METABOLISM; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION;

BENCHMARKING; COMPUTATIONAL BIOLOGY; DATABASES, PHARMACEUTICAL; DRUG DESIGN; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84976475543     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00625     Document Type: Article

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