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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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Detalles Bibliográficos
Publicado en:J Comput Chem
Main Authors: Gong, Xiping, Chiricotto, Mara, Liu, Xiaorong, Nordquist, Erik, Feig, Michael, Brooks, Charles L., Chen, Jianhan
Formato: Artigo
Idioma:Inglês
Publicado: 2019
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Acceso en liña: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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