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Accelerating Molecular Dynamic Simulation on Graphics Processing Units
We describe a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimizations needed to f...
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| Autori principali: | , , , , , , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2009
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2724265/ https://ncbi.nlm.nih.gov/pubmed/19191337 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21209 |
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