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Balanced Protein–Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association

[Image: see text] Some frequently encountered deficiencies in all-atom molecular simulations, such as nonspecific protein–protein interactions being too strong, and unfolded or disordered states being too collapsed, suggest that proteins are insufficiently well solvated in simulations using current...

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Detalles Bibliográficos
Autores principales: Best, Robert B., Zheng, Wenwei, Mittal, Jeetain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4230380/
https://www.ncbi.nlm.nih.gov/pubmed/25400522
http://dx.doi.org/10.1021/ct500569b