Pharmacophore modeling, virtual screening, docking and in silico ADMET analysis of protein kinase B (PKB β) inhibitors

Journal of Molecular Graphics and Modelling

Volumn 42, Issue , 2013, Pages 17-25

  Vyas, Vivek K ^a   Ghate, Manjunath ^a   Goel, Ashutosh ^a  

^a NIRMA UNIVERSITY   (India)

Author keywords

Docking; Pharmacophore modeling; PKB inhibitors; Tripos; Virtual screening

Indexed keywords

DIFFERENT STRUCTURE; HYDROGEN BOND ACCEPTORS; HYDROGEN BOND DONORS; PHARMACOPHORE MODELING; PHARMACOPHORE MODELS; RECEIVER OPERATING CHARACTERISTICS; TRIPOS; VIRTUAL SCREENING;

BINDING ENERGY; DOCKING; ENZYMES; HYDROGEN BONDS; MOLECULES; PROTEINS; QUERY PROCESSING;

PHARMACODYNAMICS;

PROTEIN KINASE B INHIBITOR;

ARTICLE; COMPUTER MODEL; DRUG STRUCTURE; DRUG SYNTHESIS; GUNER HENRY SCORE; HYDROPHOBICITY; IC 50; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL; RECEIVER OPERATING CHARACTERISTIC; SCORING SYSTEM; VIRTUAL REALITY;

CATALYTIC DOMAIN; CELL PROLIFERATION; DRUG DISCOVERY; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; NEOPLASMS; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS C-AKT; ROC CURVE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84874930367     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.01.010     Document Type: Article

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