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...
Guardado en:
Autores principales: | Hege Beard, Anuradha Cholleti, David Pearlman, Woody Sherman, Kathryn A Loving |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Public Library of Science (PLoS)
2013
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Materias: | |
Acceso en línea: | https://doaj.org/article/d236eef087cb446ba55c7e0112ce530e |
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