• openAccess   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 ...
    • openAccess   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 ...
    • openAccess   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. ...
    • closedAccess   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 ...