A comparative assessment of conventional and machine-learning-based scoring functions in predicting binding affinities of protein-ligand complexes

Proceedings - 2011 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2011

Volumn , Issue , 2011, Pages 627-630

  Ashtawy, Hossam M ^a   Mahapatra, Nihar R ^a  

^a Michigan State University   (United States)

Author keywords

Machine learning; protein ligand binding affinity; scoring function; scoring power; structure based drug design

Indexed keywords

BENCHMARK DATASETS; BINDING AFFINITIES; BIOMOLECULAR SCIENCE; CHEMICAL BIOLOGY; COMPARATIVE ASSESSMENT; DRUG DISCOVERY; DRUG LEADS; MACHINE-LEARNING; PEARSON'S CORRELATION COEFFICIENTS; PHYSICOCHEMICAL FEATURES; PREDICTIVE POWER; PROTEIN-LIGAND COMPLEXES; SCORING FUNCTIONS; SCORING POWER; STRUCTURAL BIOLOGY; STRUCTURE-BASED DRUG DESIGN; TEST SETS; VIRTUAL SCREENING;

BINDING ENERGY; BINDING SITES; BIOINFORMATICS; COMPLEXATION; CORRELATION METHODS; KNOWLEDGE BASED SYSTEMS; LEARNING SYSTEMS; LIGANDS; STATISTICAL TESTS;

PROTEINS;

EID: 84856045481     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/BIBM.2011.128     Document Type: Conference Paper

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