Cargando…
Comparative Performance of Computer Simulation Models of Intrinsically Disordered Proteins at Different Levels of Coarse-Graining
[Image: see text] Coarse-graining is commonly used to decrease the computational cost of simulations. However, coarse-grained models are also considered to have lower transferability, with lower accuracy for systems outside the original scope of parametrization. Here, we benchmark a bead-necklace mo...
Autores principales: | Fagerberg, Eric, Skepö, Marie |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336962/ https://www.ncbi.nlm.nih.gov/pubmed/37339604 http://dx.doi.org/10.1021/acs.jcim.3c00113 |
Ejemplares similares
-
The Effects of Chain Length on the Structural Properties
of Intrinsically Disordered Proteins in Concentrated Solutions
por: Fagerberg, Eric, et al.
Publicado: (2020) -
Self-Diffusive Properties of the Intrinsically Disordered
Protein Histatin 5 and the Impact of Crowding Thereon: A Combined
Neutron Spectroscopy and Molecular Dynamics Simulation Study
por: Fagerberg, Eric, et al.
Publicado: (2022) -
Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins: A Force Field Comparison
por: Rieloff, Ellen, et al.
Publicado: (2021) -
The power of coarse graining in biomolecular simulations
por: Ingólfsson, Helgi I, et al.
Publicado: (2014) -
Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications
por: Chng, Choon-Peng, et al.
Publicado: (2008)