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Evaluating the Strength of Salt Bridges: A Comparison of Current Biomolecular Force Fields

[Image: see text] Recent advances in computer hardware and software have made rigorous evaluation of current biomolecular force fields using microsecond-scale simulations possible. Force fields differ in their treatment of electrostatic interactions, including the formation of salt bridges in protei...

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Autores principales: Debiec, Karl T., Gronenborn, Angela M., Chong, Lillian T.
Formato: Artigo
Lenguaje:Inglês
Publicado: American Chemical Society 2014
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC4064690/
https://ncbi.nlm.nih.gov/pubmed/24702709
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp500958r
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