Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water

In this study, we examined the folding processes of eight helical proteins (2I9M, TC5B, 1WN8, 1V4Z, 1HO2, 1HLL, 2KFE, and 1YYB) at room temperature using the explicit solvent model under the AMBER14SB force field with the accelerated molecular dynamics (AMD) and traditional molecular dynamics (MD),...

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Detalles Bibliográficos
Autores principales: Duan, Lili, Guo, Xiaona, Cong, Yalong, Feng, Guoqiang, Li, Yuchen, Zhang, John Z. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6691143/
https://www.ncbi.nlm.nih.gov/pubmed/31448259
http://dx.doi.org/10.3389/fchem.2019.00540

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6691143/
https://www.ncbi.nlm.nih.gov/pubmed/31448259
http://dx.doi.org/10.3389/fchem.2019.00540

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