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Structural Transitions of Confined Model Proteins: Molecular Dynamics Simulation and Experimental Validation

✍ Scribed by Lu, Diannan; Liu, Zheng; Wu, Jianzhong


Book ID
119919868
Publisher
Biophysical Society
Year
2006
Tongue
English
Weight
403 KB
Volume
90
Category
Article
ISSN
0006-3495

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Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans