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Updated: Jun 8, 2026

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
Published on: April 13, 2022
Fractional protein dynamics seen by nuclear magnetic resonance spectroscopy: Relating molecular dynamics simulation
Vania Calandrini1, Daniel Abergel, Gerald R Kneller
1Centre de Biophysique Moléculaire, CNRS, Rue Charles Sadron, 45071 Orléans, France. vania.calandrini@cnrs-orleans.fr
Abstract:
We propose a fractional Brownian dynamics model for time correlation functions characterizing the internal dynamics of proteins probed by NMR relaxation spectroscopy. The time correlation functions are represented by a broad distribution of exponential functions which are characterized by two parameters. We show that the model describes well the restricted rotational motion of N-H vectors in the amide groups of lysozyme obtained from molecular dynamics simulation and that reliable predictions of experimental relaxation rates can be obtained on that basis.
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