Author： Kitao Akio Takeda Masaki
Publisher： Gordon and Breach
ISSN： 1023-8166
Source： Journal of Neutron Research, Vol.10, Iss.3-4, 2002-01, pp. : 143-147
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Abstract
We investigated the protein energy landscape using molecular dynamics simulation and normal mode analysis. The dynamical structure factor of a protein, staphylococcal nuclease (SNase), is calculated from the model calculations based on the Jumping-Among-Minima (JAM) model. In this model, the protein dynamics is described in terms of two types of motions: intra- and inter-substate motions. These results are compared in order to investigate the effects of solvent and anharmonicity on protein dynamics. From the comparison of the structure factors, we derive information on the nature of the dynamics in the low frequency region.
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