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Biomolecular Structure and Dynamics with Neutrons: The View from Simulation
Author(s) -
Hong Liang,
Petridis Loukas,
Smith Jeremy C.
Publication year - 2014
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.201300137
Subject(s) - neutron scattering , chemistry , biomolecule , neutron , biomolecular structure , characterization (materials science) , molecular dynamics , statistical physics , nanotechnology , physics , nuclear physics , protein structure , computational chemistry , materials science , biochemistry
The characterization of the structure and internal dynamics of biomolecules is essential to understanding their biological function. Neutron scattering probes similar time‐ and length‐scales to molecular dynamics simulation. Hence, simulation models of biomolecules have become invaluable in the interpretation of experimental neutron data. Here, we report on advances in the application of simulation in developing neutron scattering to investigate internal protein motions and, as an example of industrial relevance, in the derivation of physical models of use in biofuel renewable energy research.