Length Dependent Folding Kinetics of Alanine-Based Helical Peptides from Optimal Dimensionality Reduction

We present a computer simulation study of helix folding in alanine homopeptides (ALA)n of length n = 5, 8, 15, and 21 residues. Based on multi-microsecond molecular dynamics simulations at room temperature, we found helix populations and relaxation times increasing from about 6% and ~2 ns for ALA5 t...

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Detalles Bibliográficos
Autores principales: Kuczera, Krzysztof, Szoszkiewicz, Robert, He, Jinyan, Jas, Gouri S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8170890/
https://www.ncbi.nlm.nih.gov/pubmed/33923197
http://dx.doi.org/10.3390/life11050385

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8170890/
https://www.ncbi.nlm.nih.gov/pubmed/33923197
http://dx.doi.org/10.3390/life11050385

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