Enrichment of virtual hits by progressive shape-matching and docking

Journal of Molecular Graphics and Modelling

Volumn 32, Issue , 2012, Pages 82-88

  Choi, Jiwon ^a   He, Ningning ^a   Kim, Nayoung ^a   Yoon, Sukjoon ^a  

^a Sookmyung Women's University   (South Korea)

Author keywords

Docking; Lead hopping; Ligand centric methods; Principal component analysis; Receptor centric methods; Virtual screening

Indexed keywords

LEAD HOPPING; LIGAND-CENTRIC METHODS; PRINCIPAL COMPONENTS; RECEPTOR-CENTRIC METHODS; VIRTUAL SCREENING;

CHEMICAL ANALYSIS; CHEMICAL COMPOUNDS; CYTOLOGY; DOCKING; LIGANDS; PRINCIPAL COMPONENT ANALYSIS; THREE DIMENSIONAL;

DIGITAL LIBRARIES;

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PHOSPHATIDYLINOSITOL 3 KINASE GAMMA;

ARTICLE; CHEMICAL ANALYSIS; CRYSTAL STRUCTURE; HIGH THROUGHPUT SCREENING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SHAPE MATCHING;

BINDING SITES; DATABASES, PROTEIN; HIGH-THROUGHPUT SCREENING ASSAYS; LIGANDS; MODELS, MOLECULAR; PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS; PHOSPHATIDYLINOSITOL 3-KINASES; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; SMALL MOLECULE LIBRARIES;

EID: 82255186618     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.10.002     Document Type: Article

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