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Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics
In this work, we critically assess the ability of the all-atom enhanced sampling method accelerated molecular dynamics (aMD) to investigate conformational changes in proteins that typically occur on the millisecond time scale. We combine aMD with the inherent power of graphics processor units (GPUs)...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2012
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3438784/ https://ncbi.nlm.nih.gov/pubmed/22984356 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300284c |
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