Combining Neutron Scattering, Deuteration Technique, and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules

Li-Rong Zheng; Liang Hong

doi:10.1007/s10118-019-2312-2

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Combining Neutron Scattering, Deuteration Technique, and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules

FEATURE ARTICLE | Updated：2021-02-18

- Combining Neutron Scattering, Deuteration Technique, and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules
- Chinese Journal of Polymer Science Vol. 37, Issue 11, Pages: 1083-1091(2019)
- Affiliations：
  
  a.School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China
  b.Institute of Natural Sciences, Shanghai Jiao Tong University, Shanghai 200240, China
- Author bio：
  
  hongl3liang@sjtu.edu.cn
- Funds：
- DOI：10.1007/s10118-019-2312-2
  CLC： M
- Received：14 April 2019，
  
  Revised：2019-5-18，
  
  Accepted：03 June 2019，
  
  Online First：02 September 2019，
  
  Published：2019-11
- Accepted：
Scan QR Code
Zheng, L. R.; Hong, L. Combining neutron scattering, deuteration technique, and molecular dynamics simulations to study dynamics of protein and its surface water molecules. Chinese J. Polym. Sci. 2019, 37, 1083–1091.

Li-Rong Zheng, Liang Hong. Combining Neutron Scattering, Deuteration Technique, and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules[J]. Chinese Journal of Polymer Science, 2019, 37(11): 1083-1091.
Zheng, L. R.; Hong, L. Combining neutron scattering, deuteration technique, and molecular dynamics simulations to study dynamics of protein and its surface water molecules. Chinese J. Polym. Sci. 2019, 37, 1083–1091. DOI： 10.1007/s10118-019-2312-2.

Li-Rong Zheng, Liang Hong. Combining Neutron Scattering, Deuteration Technique, and Molecular Dynamics Simulations to Study Dynamics of Protein and Its Surface Water Molecules[J]. Chinese Journal of Polymer Science, 2019, 37(11): 1083-1091. DOI： 10.1007/s10118-019-2312-2.

摘要

Abstract

Protein internal dynamics is essential for its function. Exploring the internal dynamics of protein molecules as well as its connection to protein structure and function is a central topic in biophysics. However

the atomic motions in protein molecules exhibit a great degree of complexities. These complexities arise from the complex chemical composition and superposition of different types of atomic motions on the similar time scales

and render it challenging to explicitly understand the microscopic mechanism governing protein motions

functions

and their connections. Here

we demonstrate that

by using neutron scattering

molecular dynamics simulation

and deuteration technique

one can address this challenge to a large extent.

关键词

Keywords

references

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