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Multiscale implementation of infinite-swap replica exchange molecular dynamics
Replica exchange molecular dynamics (REMD) is a popular method to accelerate conformational sampling of complex molecular systems. The idea is to run several replicas of the system in parallel at different temperatures that are swapped periodically. These swaps are typically attempted every few MD s...
Shranjeno v:
| izdano v: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
National Academy of Sciences
2016
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5081654/ https://ncbi.nlm.nih.gov/pubmed/27698148 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1605089113 |
| Oznake: |
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