Energetics and structure of alanine-rich α-helices via adaptive steered molecular dynamics

The energetics and hydrogen bonding profiles of the helix-to-coil transition were found to be an additive property and to increase linearly with chain length, respectively, in alanine-rich α-helical peptides. A model system of polyalanine repeats was used to establish this hypothesis for the energet...

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Veröffentlicht in:	Biophysical journal 2021-05, Vol.120 (10), p.2009-2018
Hauptverfasser:	Zhuang, Yi, Bureau, Hailey R., Lopez, Christine, Bucher, Ryan, Quirk, Stephen, Hernandez, Rigoberto
Format:	Artikel
Sprache:	eng
Schlagworte:	Alanine Hydrogen Bonding Molecular Dynamics Simulation Protein Conformation, alpha-Helical
Online-Zugang:	Volltext
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