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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)...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3438784/ https://www.ncbi.nlm.nih.gov/pubmed/22984356 http://dx.doi.org/10.1021/ct300284c |