Listar FCA_Articles por autoría "446a0290-39a6-4b65-a953-d25adb47bcf6"
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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 ... -
Ion transport through biological channels
Faraudo, Jordi; Aguilella-Arzo, Marcel Institut d’Estudis Catalans (2015)The transport of ions across single-molecule protein nanochannels is important both in the biological context and in proposed nanotechnological applications. Here we discuss these systems from the perspective of ... -
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. ... -
Quatsomes: Vesicles Formed by Self-Assembly of Sterols and Quaternary Ammonium Surfactants
Ferrer Tasies, Lidia; Moreno Calvo, Evelyn; Cano Sarabia, Mary; Aguilella-Arzo, Marcel; Angelova, Angelina; Lesieur, Sylviane; Ricart, Susagna; Faraudo, Jordi; Ventosa, Nora; Veciana, Jaume American Chemical Society (2013)Thermodynamically stable nanovesicle structures are of high interest for academia and industry in a wide variety of application fields, ranging from preparation of nanomaterials to nanomedicine. Here, we show the ability ...