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Publication

Title:Non-equilibrium molecular dynamics study of electric and low-frequency microwave fields on hen egg white lysozyme
Authors:N.J. English, G.Y. Solomentsev and P. O’Brien, 2009
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
ICHEC Project:Effects of Electromagnetic Fields on Proteins
Publication:The Journal of Chemical Physics, 131, 035106
URL: http://link.aip.org/link/?JCPSA6/131/035106/1
Status: Published

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