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Improving the Description of Salt Bridge Strength and Geometry in a Generalized Born Model

The Generalized Born (GB) solvent model is widely used in molecular dynamics simulations because it can be less computationally expensive and it samples conformational changes more efficiently than explicit solvent simulations. Meanwhile, great efforts have been made in the past to improve its preci...

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Hlavní autoři: Shang, Yi, Nguyen, Hai, Wickstrom, Lauren, Okur, Asim, Simmerling, Carlos
Médium: Artigo
Jazyk:Inglês
Vydáno: 2010
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3390179/
https://ncbi.nlm.nih.gov/pubmed/21168352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.11.013
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