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GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations

Molecular dynamics methodologies comprise a vital research tool for structural biology. Molecular dynamics has benefited from technological advances in computing, such as multi-core CPUs and graphics processing units (GPUs), but harnessing the full power of hybrid GPU/CPU computers remains difficult...

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Hlavní autoři: Tanner, David E., Phillips, James C., Schulten, Klaus
Médium: Artigo
Jazyk:Inglês
Vydáno: 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3464051/
https://ncbi.nlm.nih.gov/pubmed/23049488
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct3003089
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