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Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units

The Generalized Born with Molecular Volume (GBMV2) implicit solvent model provides an accurate description of molecular volume and has the potential to accurately describe the conformational equilibria of structured and disordered proteins. However, its broader application has been limited by the co...

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Vydáno v:J Comput Chem
Hlavní autoři: Gong, Xiping, Chiricotto, Mara, Liu, Xiaorong, Nordquist, Erik, Feig, Michael, Brooks, Charles L., Chen, Jianhan
Médium: Artigo
Jazyk:Inglês
Vydáno: 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7076882/
https://ncbi.nlm.nih.gov/pubmed/31875339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26133
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