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

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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Bibliographic Details
Main Authors: Krzysztof Kuczera, Robert Szoszkiewicz, Jinyan He, Gouri S. Jas
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Life
Subjects:
helix folding
molecular dynamics simulation
optimal dimensionality reduction
kinetic models
Online Access:https://www.mdpi.com/2075-1729/11/5/385

Internet

https://www.mdpi.com/2075-1729/11/5/385

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