Citation: 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 shu

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

Li-Rong Zheng ^a,b ,
Liang Hong ^a,b,,

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

Corresponding author: Liang Hong, hongl3liang@sjtu.edu.cn
Received Date: 14 April 2019
Revised Date: 18 May 2019
Available Online: 2 September 2019

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.
- Neutron scattering,
- Deuteration techniques,
- Molecular dynamics simulations,
- Protein,
- Hydration water,
- Dynamics
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