Related Experiment Video

Updated: Jun 22, 2025

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
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Parsing Dynamics of Protein Backbone NH and Side-Chain Methyl Groups using Molecular Dynamics Simulations

Nooriel E Banayan1, Andrew Hsu2, John F Hunt1

  • 1Department of Biological Sciences, Columbia University, 3000 Broadway, New York, New York 10027, United States.

Journal of Chemical Theory and Computation
|July 3, 2024
PubMed
Summary

Molecular dynamics simulations and NMR experiments reveal protein dynamics. Optimized simulations accurately predict generalized order parameters for Escherichia coli ribonuclease HI, enhancing our understanding of enzyme flexibility.

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