Cargando…
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...
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 |
Ejemplares similares
-
Automatic Optimization
of Lipid Models in the Martini
Force Field Using SwarmCG
por: Empereur-mot, Charly, et al.
Publicado: (2023) -
Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
por: Empereur-Mot, Charly, et al.
Publicado: (2020) -
Classifying soft self-assembled materials via unsupervised machine learning of defects
por: Gardin, Andrea, et al.
Publicado: (2022) -
Geometric description of self-interaction potential in symmetric protein complexes
por: Empereur-Mot, Charly, et al.
Publicado: (2019) -
Game On, Science - How Video Game Technology May Help Biologists Tackle Visualization Challenges
por: Lv, Zhihan, et al.
Publicado: (2013)