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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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| Publicat a: | Life (Basel) |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
MDPI
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8170890/ https://ncbi.nlm.nih.gov/pubmed/33923197 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/life11050385 |
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