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Parallelization and Improvements of the Generalized Born Model with a Simple sWitching Function for Modern Graphics Processors

Two fundamental challenges of simulating biologically relevant systems are the rapid calculation of the energy of solvation, and the trajectory length of a given simulation. The Generalized Born model with a Simple sWitching function (GBSW) addresses these issues by using an efficient approximation...

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Bibliografiske detaljer
Udgivet i:J Comput Chem
Main Authors: Arthur, Evan J., Brooks, Charles L.
Format: Artigo
Sprog:Inglês
Udgivet: 2016
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4801733/
https://ncbi.nlm.nih.gov/pubmed/26786647
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24280
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