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The role of water near charged interfaces: Molecular dynamics simulations of biological macromolecules in presence of high intense electric fields

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6 Author(s)
Marracino, P. ; Dept. of Inf. Eng., Electron. & Telecommun. (DIET), ICEmB, Sapienza Univ. of Rome, Rome, Italy ; Apollonio, F. ; Di Mattia, V. ; Liberti, M.
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Because of its central role in basically all aspects of science, water is certainly one of the most extensively investigated substances from a theoretical point of view. Moreover, the characterization of liquids and solutions under the effect of external electric fields is a long standing and challenging field of investigation for both theoretical and experimental approaches. In this work the behavior of water near charged interfaces has been evaluated considering two different cases: an ion in aqueous solution and a macromolecule of DNA. The methodology used is based on atomistic simulations, specifically adapted to account for the presence of exogenous electric fields.

Published in:

General Assembly and Scientific Symposium, 2011 XXXth URSI

Date of Conference:

13-20 Aug. 2011

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