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- W2074206013 abstract "Nonequilibrium molecular dynamics simulations of various mutants of hen egg white lysozyme have been performed at 300 K and 1 bar in the presence of both external static electric and low-frequency microwave (2.45 GHz) fields of varying intensity. Significant nonthermal field effects were noted, such as marked changes in the protein’s secondary structure relative to the zero-field state, depending on the field conditions, mutation, and orientation with respect to the applied field. This occurred primarily as a consequence of alignment of the protein’s total dipole moment with the external field, although the dipolar alignment of water molecules in both the solvation layer and the bulk was also found to be influential. Substantial differences in behavior were found for proteins with and without overall net charges, particularly with respect to translational motion. Localized motion and perturbation of hydrogen bonds were also found to be evident for charged residues." @default.
- W2074206013 created "2016-06-24" @default.
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- W2074206013 date "2009-07-21" @default.
- W2074206013 modified "2023-10-17" @default.
- W2074206013 title "Nonequilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme" @default.
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- W2074206013 doi "https://doi.org/10.1063/1.3184794" @default.
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