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Insight into the binding of DFG-out allosteric inhibitors to B-Raf kinase using molecular dynamics and free energy calculations.
Coronel, Luis; Granadino-Roldán, José M.; Pinto, Marta; Tomás Belenguer, María Santos; Pujol, M. Dolors; Rubio-Martinez, Jaime
Universitat Politècnica de Catalunya. Departament de Tecnologia de l'Arquitectura
Àrees temàtiques de la UPC::Ciències de la salut::Medicina
Molecular dynamics
Protein kinases -- Inhibitors -- Therapeutic use
Dinàmica molecular
Proteïnes quinases -- Inhibidors -- Ús terapèutic
info:eu-repo/semantics/submittedVersion
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