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Study of the Affinity between the Protein Kinase PKA and Peptide Substrates Derived from Kemptide Using Molecular Dynamics Simulations and MM/GBSA

We have carried out a protocol in computational biochemistry including molecular dynamics (MD) simulations and MM/GBSA free energy calculations on the complex between the protein kinase A (PKA) and the specific peptide substrate Kemptide (LRRASLG). We made the same calculations on other PKA complexe...

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Detalles Bibliográficos
Autores principales:	Mena-Ulecia, Karel, Vergara-Jaque, Ariela, Poblete, Horacio, Tiznado, William, Caballero, Julio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2014
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4183626/ https://www.ncbi.nlm.nih.gov/pubmed/25275314 http://dx.doi.org/10.1371/journal.pone.0109639

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