Chemical space sampling by different scoring functions and crystal structures

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 5, 2010, Pages 433-447

  Brooijmans, Natasja ^a   Humblet, Christine ^b  

^a WYETH RESEARCH   (United States)

^b PFIZER INC   (United States)

Author keywords

Chemical diversity; Docking; Enrichment; Kinases; Protein flexibility; Virtual screening

Indexed keywords

DOCKING;

CHEMICAL DIVERSITY; CHEMICAL SPACE; CHEMOTYPES; CRYSTALS STRUCTURES; DOCKING; ENRICHMENT; KINASE; PROTEIN FLEXIBILITY; SCORING FUNCTIONS; VIRTUAL SCREENING;

CRYSTAL STRUCTURE;

PHOSPHATIDYLINOSITOL 3 KINASE GAMMA;

ARTICLE; CONSENSUS; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENZYME BINDING; ENZYME STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROSPECTIVE STUDY; PROTEIN FUNCTION; RETROSPECTIVE STUDY; SCORING SYSTEM;

EID: 77953326788     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9356-2     Document Type: Article

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