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Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes

Predicting changes in protein binding affinity due to single amino acid mutations helps us better understand the driving forces underlying protein-protein interactions and design improved biotherapeutics. Here, we use the MM-GBSA approach with the OPLS2005 force field and the VSGB2.0 solvent model t...

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Detalles Bibliográficos
Autores principales:	Beard, Hege, Cholleti, Anuradha, Pearlman, David, Sherman, Woody, Loving, Kathryn A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2013
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3858304/ https://www.ncbi.nlm.nih.gov/pubmed/24340062 http://dx.doi.org/10.1371/journal.pone.0082849

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