Khodadadi, S.
, Curtis, J.
and Sokolov, A.
(2011),
Protein Dynamics on the Nanosecond Time Scale: Dielectric and Simulation Studies, Journal of Physical Chemistry B, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=906295
(Accessed October 8, 2025)
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Protein Dynamics on the Nanosecond Time Scale: Dielectric and Simulation Studies
Published
Author(s)
, , A. P. Sokolov
Abstract
We studied dynamics of hydrated Rnase A and its hydration shell by combining MD simulations and Dielectric spectroscopy technique. The results show that there are not significant numbers of water molecules at the protein surface which are able to exchange with bulk water on a time scale slower than a few nanoseconds. Detailed analysis of the MD simulations indicate that the observed relaxation process in the tens of nanosecond time range of hydrated protein spectra is mainly caused by protein and involves the entire structure of protein including backbone, side chains and turns. Both surface and the core of the protein are contributing to this motion however surface demonstrates slightly faster dynamics.Citation
Journal of Physical Chemistry B
Volume
115
Pub Type
Journals
Download Paper
Keywords
protein dynamics, molecular dynamics, neutron spin echo
Citation
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Created April 21, 2011, Updated October 12, 2021