Applying conformational selection theory to improve crossdocking efficiency in 3-phosphoinositide dependent protein kinase-1

Proteins: Structure, Function and Bioinformatics

Volumn 82, Issue 3, 2014, Pages 436-451

  Kotasthane, Anuja ^a   Mulakala, Chandrika ^a   Viswanadhan, Vellarkad N ^a  

^a JUBILANT BIOSYS LTD   (India)

Author keywords

Conformational selection theory; Crossdocking; Docking accuracy; Ligand conformational sampling; Ligand ensemble rigid docking

Indexed keywords

ADENOSINE TRIPHOSPHATE; PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1;

ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG INDUSTRY; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION;

CONFORMATIONAL SELECTION THEORY; CROSSDOCKING; DOCKING ACCURACY; LIGAND CONFORMATIONAL SAMPLING; LIGAND ENSEMBLE RIGID DOCKING;

3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASES; ADENOSINE TRIPHOSPHATE; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; STAUROSPORINE;

EID: 84893730363     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24410     Document Type: Article

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