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Toward canonical ensemble distribution from self-guided Langevin dynamics simulation
This work derives a quantitative description of the conformational distribution in self-guided Langevin dynamics (SGLD) simulations. SGLD simulations employ guiding forces calculated from local average momentums to enhance low-frequency motion. This enhancement in low-frequency motion dramatically a...
Bewaard in:
| Hoofdauteurs: | , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
U.S. Government
2011
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3087419/ https://ncbi.nlm.nih.gov/pubmed/21476744 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3574397 |
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