A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields

[Image: see text] Molecular dynamics simulations of all-atom and coarse-grained lipid bilayer models are increasingly used to obtain useful insights for understanding the structural dynamics of these assemblies. In this context, one crucial point concerns the comparison of the performance and accura...

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Detalles Bibliográficos
Autores principales: Capelli, Riccardo, Gardin, Andrea, Empereur-mot, Charly, Doni, Giovanni, Pavan, Giovanni M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8311647/
https://www.ncbi.nlm.nih.gov/pubmed/34254518
http://dx.doi.org/10.1021/acs.jpcb.1c02503

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8311647/
https://www.ncbi.nlm.nih.gov/pubmed/34254518
http://dx.doi.org/10.1021/acs.jpcb.1c02503

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