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...

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Detalles Bibliográficos
Autores principales: Paissoni, Cristina, Camilloni, Carlo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Molecular Biosciences
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

Internet

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

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