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. © 2011 IEEE.
The role of water near charged interfaces: Molecular dynamics simulations of biological macromolecules in presence of high intense electric fields / Marracino, Paolo; Apollonio, Francesca; V., Di Mattia; Liberti, Micaela; A., Amadei; D'Inzeo, Guglielmo. - (2011), pp. 1-3. (Intervento presentato al convegno 2011 30th URSI General Assembly and Scientific Symposium, URSIGASS 2011 tenutosi a Istanbul nel 13 August 2011 through 20 August 2011) [10.1109/ursigass.2011.6051306].
The role of water near charged interfaces: Molecular dynamics simulations of biological macromolecules in presence of high intense electric fields
MARRACINO, PAOLO;APOLLONIO, Francesca;LIBERTI, Micaela;D'INZEO, Guglielmo
2011
Abstract
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. © 2011 IEEE.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
