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How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case
The reliability and usefulness of molecular dynamics simulations of equilibrium processes rests on their statistical precision and their capability to generate conformational ensembles in agreement with available experimental knowledge. Metadynamics Metainference (M&M), coupling molecular dynami...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8187852/ https://www.ncbi.nlm.nih.gov/pubmed/34124166 http://dx.doi.org/10.3389/fmolb.2021.694130 |