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UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales
SUMMARY: The UNited RESisdue (UNRES) package for coarse-grained simulations, which has recently been optimized to treat large protein systems, has been implemented on Graphical Processor Units (GPUs). An over 100-time speed-up of the GPU code (run on an NVIDIA A100) with respect to the sequential co...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10307937/ https://www.ncbi.nlm.nih.gov/pubmed/37338530 http://dx.doi.org/10.1093/bioinformatics/btad391 |