Biased retrieval of chemical series in receptor-based virtual screening

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 12, 2010, Pages 1053-1062

  Brooijmans, Natasja ^b   Cross, Jason B ^a,c   Humblet, Christine ^a  

^a PFIZER INC   (United States)

^b NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^c CUBIST PHARMACEUTICALS INC   (United States)

Author keywords

Binding sites; Crystallography: X ray; Docking; Models: Molecular; Protein kinase inhibitors; Protein kinases; Virtual screening

Indexed keywords

BINDING SITES; ENZYMES;

ACTIVE COMPOUNDS; BINDING-SITES; CLUSTER-BASED; DOCKING; MODEL: MOLECULAR; PROTEIN KINASE; PROTEIN KINASE INHIBITORS; SCREENING EXPERIMENTS; VALIDATION STUDY; VIRTUAL SCREENING;

X RAY CRYSTALLOGRAPHY;

PHOSPHATIDYLINOSITOL 3 KINASE GAMMA;

ARTICLE; CRYSTAL STRUCTURE; ENZYME STRUCTURE; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN TARGETING; STRUCTURE ANALYSIS; VIRTUAL REALITY;

EID: 78651321597     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9394-9     Document Type: Article

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