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REVO: Resampling of ensembles by variation optimization
Conventional molecular dynamics simulations are incapable of sampling many important interactions in biomolecular systems due to their high dimensionality and rough energy landscapes. To observe rare events and calculate transition rates in these systems, enhanced sampling is a necessity. In particu...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
AIP Publishing LLC
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7043833/ https://www.ncbi.nlm.nih.gov/pubmed/31255090 http://dx.doi.org/10.1063/1.5100521 |