Quasielastic neutron scattering in biology: Theory and applications.
作者： Derya Vural , Xiaohu Hu , Benjamin Lindner , Nitin Jain , Yinglong Miao
DOI: 10.1016/J.BBAGEN.2016.06.015
关键词:
摘要: Neutrons scatter quasielastically from stochastic, diffusive processes, such as overdamped vibrations, localized diffusion and transitions between energy minima. In biological systems, proteins membranes, these relaxation processes are of considerable physical interest. We review here recent methodological advances applications quasielastic neutron scattering (QENS) in biology, concentrating on the role molecular dynamics simulation generating data with which profiles can be unambiguously interpreted. examine use massively-parallel computers calculating functions, application Markov state modeling. The decomposition MD-derived dynamic susceptibilities is described, this combination NMR spectroscopy. discuss at very long times, including approximations to infinite time mean-square displacement nonequilibrium aspects single-protein dynamics. Finally, we how MD combined provide information lipid nanodomains. This article part a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Salvatore Magazu Federica Migliardo.
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