Binding of BIS like and other ligands with the GSK-3β kinase: A combined docking and MM-PBSA study

Journal of Molecular Modeling

Volumn 18, Issue 2, 2012, Pages 631-644

  Jena, Nihar R ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

BIS like inhibitors; Docking; Glycogen synthase kinase 3 (GSK 3 ); MM PBSA; Protein drug binding

Indexed keywords

BISINDOLYLMALEIMIDE; GLYCOGEN SYNTHASE KINASE 3BETA; N [2 (4 BROMOCINNAMYLAMINO)ETHYL] 5 ISOQUINOLINESULFONAMIDE; PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1;

ARTICLE; BINDING KINETICS; ENZYME INHIBITION; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

CARBOHYDRATE CONFORMATION; GLYCOGEN SYNTHASE KINASE 3; HYDROGEN BONDING; INDOLES; LIGANDS; MALEIMIDES; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; SUBSTRATE SPECIFICITY;

EID: 84861226789     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1065-9     Document Type: Article

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