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Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational sampling
This work presents a replica exchanging self-guided Langevin dynamics (RXSGLD) simulation method for efficient conformational searching and sampling. Unlike temperature-based replica exchanging simulations, which use high temperatures to accelerate conformational motion, this method uses self-guided...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3416874/ https://ncbi.nlm.nih.gov/pubmed/22852596 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4737094 |
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