Listar por autoría "8a806670-2905-429e-aa57-76eac9ff57a2"
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First-passage-time analysis of atomic-resolution simulations of the ionic transport in a bacterial porin
Calero, Carles; Faraudo, Jordi; Aguilella-Arzo, Marcel American Physical Society (2011-02-16)We have studied the dynamics of chloride and potassium ions in the interior of the Outer membrane porin F (OmpF) under the influence of an external electric field. From the results of extensive all-atom molecular dynamics ... -
Molecular dynamics simulations of concentrated aqueous electrolyte solutions
Calero, Carles; Faraudo, Jordi; Aguilella-Arzo, Marcel Taylor & Francis (2011)Transport properties of concentrated electrolytes have been analysed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. ...