SOP‐GPU: influence of solvent‐induced hydrodynamic interactions on dynamic structural transitions in protein assemblies

Hydrodynamic interactions (HI) are incorporated into Langevin dynamics of the C(α)‐based protein model using the Truncated Expansion approximation (TEA) to the Rotne–Prager–Yamakawa diffusion tensor. Computational performance of the obtained GPU realization demonstrates the model's capability f...

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Detalles Bibliográficos
Autores principales: Alekseenko, Andrey, Kononova, Olga, Kholodov, Yaroslav, Marx, Kenneth A., Barsegov, Valeri
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2016
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5021127/
https://www.ncbi.nlm.nih.gov/pubmed/27015749
http://dx.doi.org/10.1002/jcc.24368

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5021127/
https://www.ncbi.nlm.nih.gov/pubmed/27015749
http://dx.doi.org/10.1002/jcc.24368

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