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Force-momentum-based self-guided Langevin dynamics: A rapid sampling method that approaches the canonical ensemble
The self-guided Langevin dynamics (SGLD) is a method to accelerate conformational searching. This method is unique in the way that it selectively enhances and suppresses molecular motions based on their frequency to accelerate conformational searching without modifying energy surfaces or raising tem...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3248022/ https://ncbi.nlm.nih.gov/pubmed/22128922 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3662489 |
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