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Self-Guided Langevin Dynamics via Generalized Langevin Equation
Self-guided Langevin dynamics (SGLD) is a molecular simulation method that enhances conformational search and sampling via acceleration of the low frequency motions of the system. This acceleration is produced via introduction of a guiding force which breaks down the detailed-balance property of the...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4715807/ https://ncbi.nlm.nih.gov/pubmed/26183423 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24015 |
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