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Molecular dynamic simulation of the hydration and diffusion of chloride ions from bulk water to polypyrrole matrix.
López Cascales JJ, Otero TF. López Cascales JJ, et al. J Chem Phys. 2004 Jan 22;120(4):1951-7. doi: 10.1063/1.1636453. J Chem Phys. 2004. PMID: 15268329
Effect of lithium and sodium ions on a charged membrane of dipalmitoylphosphatidylserine: a study by molecular dynamics simulation.
López Cascales JJ, García de la Torre J. López Cascales JJ, et al. Biochim Biophys Acta. 1997 Dec 4;1330(2):145-56. doi: 10.1016/s0005-2736(97)00156-9. Biochim Biophys Acta. 1997. PMID: 9408167
Model of an asymmetric DPPC/DPPS membrane: effect of asymmetry on the lipid properties. A molecular dynamics simulation study.
López Cascales JJ, Otero TF, Smith BD, González C, Márquez M. López Cascales JJ, et al. J Phys Chem B. 2006 Feb 9;110(5):2358-63. doi: 10.1021/jp0562680. J Phys Chem B. 2006. PMID: 16471825
Phase transition of a DPPC bilayer induced by an external surface pressure: from bilayer to monolayer behavior. a molecular dynamics simulation study.
López Cascales JJ, Otero TF, Fernandez Romero AJ, Camacho L. López Cascales JJ, et al. Langmuir. 2006 Jun 20;22(13):5818-24. doi: 10.1021/la0602315. Langmuir. 2006. PMID: 16768513
In situ FTIR spectroscopy study of the break-in phenomenon observed for PPy/PVS films in acetonitrile.
Fernandez Romero AJ, López Cascales JJ, Otero TF. Fernandez Romero AJ, et al. Among authors: lopez cascales jj. J Phys Chem B. 2005 Nov 10;109(44):21078-85. doi: 10.1021/jp054026u. J Phys Chem B. 2005. PMID: 16853730
Perchlorate interchange during the redox process of PPy/PVS films in an acetonitrile medium. a voltammetric and EDX study.
Fernandez Romero AJ, López Cascales JJ, Fernandez Otero T. Fernandez Romero AJ, et al. Among authors: lopez cascales jj. J Phys Chem B. 2005 Jan 20;109(2):907-14. doi: 10.1021/jp046601k. J Phys Chem B. 2005. PMID: 16866458
Molecular dynamics simulation of a dye molecule in the interior of a bilayer: 1,6-diphenyl-1,3,5-hexatriene in dipalmitoylphosphatidylcholine.
López Cascales JJ, Huertas ML, García de la Torre J. López Cascales JJ, et al. Biophys Chem. 1997 Nov;69(1):1-8. doi: 10.1016/s0301-4622(96)02267-3. Biophys Chem. 1997. PMID: 17029914
Effect of Na+ and Ca2+ ions on a lipid Langmuir monolayer: an atomistic description by molecular dynamics simulations.
Giner Casares JJ, Camacho L, Martín-Romero MT, López Cascales JJ. Giner Casares JJ, et al. Among authors: lopez cascales jj. Chemphyschem. 2008 Dec 1;9(17):2538-43. doi: 10.1002/cphc.200800321. Chemphyschem. 2008. PMID: 19012310
Study of the effect of Na+ and Ca2+ ion concentration on the structure of an asymmetric DPPC/DPPC + DPPS lipid bilayer by molecular dynamics simulation.
Porasso RD, López Cascales JJ. Porasso RD, et al. Among authors: lopez cascales jj. Colloids Surf B Biointerfaces. 2009 Oct 1;73(1):42-50. doi: 10.1016/j.colsurfb.2009.04.028. Epub 2009 May 9. Colloids Surf B Biointerfaces. 2009. PMID: 19487110
Physicochemical study of the acetonitrile insertion into polypyrrole films.
Oliveira Costa SD, Fernández Romero AJ, López Cascales JJ. Oliveira Costa SD, et al. Among authors: lopez cascales jj. J Chem Phys. 2010 Apr 14;132(14):144702. doi: 10.1063/1.3378267. J Chem Phys. 2010. PMID: 20406005
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