Conformational Ensembles by NMR and MD Simulations in Model Heptapeptides with Select Tri-Peptide Motifs

Conformational Ensembles by NMR and MD Simulations in Model Heptapeptides with Select Tri-Peptide Motifs

Both nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulations are routinely used in understanding the conformational space sampled by peptides in the solution state. To investigate the role of single-residue change in the ensemble of conformations sampled by a set of heptapeptides, A...

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Bibliographic Details
Main Authors: V. V. Krishnan, Timothy Bentley, Alina Xiong, Kalyani Maitra
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:International Journal of Molecular Sciences
Subjects:
NMR
MD
random coil
peptide
ensemble
conformation
Online Access:https://www.mdpi.com/1422-0067/22/3/1364

Internet

https://www.mdpi.com/1422-0067/22/3/1364

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