EFindSite: Enhanced fingerprint-based virtual screening against predicted ligand binding sites in protein models

Molecular Informatics

Volumn 33, Issue 2, 2014, Pages 135-150

  Feinstein, Wei P ^a   Brylinski, Michal ^a  

^a LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

Data fusion; Fingerprint based virtual screening; Ligand virtual screening; Machine learning; Molecular docking; Protein threading; Support vector machines

Indexed keywords

BINDING SITES; CRYSTAL STRUCTURE; DATA FUSION; E-LEARNING; ESCHERICHIA COLI; LEARNING SYSTEMS; PROTEINS;

FINGERPRINT-BASED VIRTUAL SCREENING; LIGAND VIRTUAL SCREENING; LIGAND-BINDING SITES; MACHINE-LEARNING; MOLECULAR DOCKING; PROTEIN THREADING; SUPPORT VECTORS MACHINE; TARGET PROTEINS; VIRTUAL SCREENING;

LIGANDS;

ANTIBIOTIC AGENT; LIGAND; PROTEIN; PROTEOME;

ACCURACY; ALGORITHM; ARTICLE; BINDING SITE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CONFORMATION; CRYSTAL STRUCTURE; DRUG SCREENING; ESCHERICHIA COLI; ESSENTIAL GENE; GOLD STANDARD; LIGAND BINDING; MACHINE LEARNING; MOLECULAR DOCKING; NONHUMAN; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUALITY CONTROL; SEQUENCE HOMOLOGY; THERMOTOGA MARITIMA; VIRTUAL REALITY;

EID: 84894055826     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201300143     Document Type: Article

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