Insight into the binding of DFG-out allosteric inhibitors to B-Raf kinase using molecular dynamics and free energy calculations.

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Title:	Insight into the binding of DFG-out allosteric inhibitors to B-Raf kinase using molecular dynamics and free energy calculations.
Author:	Coronel, Luis; Granadino-Roldán, José M.; Pinto, Marta; Tomás Belenguer, María Santos; Pujol, M. Dolors; Rubio-Martinez, Jaime
Other authors:	Universitat Politècnica de Catalunya. Departament de Tecnologia de l'Arquitectura
Abstract:	The published manuscript is available at EurekaSelect via http://www.eurekaselect.com/openurl/content.php?genre=article&doi= 10.2174/1573409911666150702100245
Subject(s):	-Àrees temàtiques de la UPC::Ciències de la salut::Medicina -Molecular dynamics -Protein kinases -- Inhibitors -- Therapeutic use -Dinàmica molecular -Proteïnes quinases -- Inhibidors -- Ús terapèutic
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Document type:	Article - Submitted version Article
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