Items where Author is "Gillespie, Dirk"

Article

Fábián, Hajnalka and Sarkadi, Zsófia and Valiskó, Mónika and Gillespie, Dirk and Boda, Dezső (2023) Calcium versus potassium selectivity in a nanopore: the effect of charge inversion at localized pore charges. JOURNAL OF MOLECULAR LIQUIDS, 368. p. 120715. ISSN 0167-7322

Boda, Dezső and Gillespie, Dirk (2023) Distribution of ions between different dielectric media: direct simulation of the Donnan equilibrium in the grand canonical ensemble. JOURNAL OF MOLECULAR LIQUIDS. ISSN 0167-7322

Gillespie, Dirk and Valiskó, Mónika and Boda, Dezső (2021) Electrostatic correlations in electrolytes: Contribution of screening ion interactions to the excess chemical potential. JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606

Boda, Dezső and Valiskó, Mónika and Gillespie, Dirk (2020) Modeling the Device Behavior of Biological and Synthetic Nanopores with Reduced Models. Entropy, 22 (11). pp. 1-26. ISSN 1099-4300

Fertig, Dávid and Matejczyk, Bartlomiej and Valiskó, Mónika and Gillespie, Dirk and Boda, Dezső (2019) Scaling Behavior of Bipolar Nanopore Rectification with Multivalent Ions. The Journal of Physical Chemistry C, 123 (47). pp. 28985-28996. ISSN 0022-3654

Valiskó, Mónika and Matejczyk, Bartlomiej and Ható, Zoltán and Kristóf, Tamás and Mádai, Eszter and Fertig, Dávid and Gillespie, Dirk and Boda, Dezső (2019) Multiscale analysis of the effect of surface charge pattern on a nanopore’s rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck. JOURNAL OF CHEMICAL PHYSICS, 155 (14). p. 144703. ISSN 0021-9606

Voukadinova, Adelina and Valiskó, Mónika and Gillespie, Dirk (2018) Assessing the accuracy of three classical density functional theories of the electrical double layer. PHYSICAL REVIEW E - STATISTICAL, NONLINEAR AND SOFT MATTER PHYSICS, 98 (1). pp. 1-24. ISSN 1539-3755

Valiskó, Mónika and Kristóf, Tamás and Gillespie, Dirk and Boda, Dezső (2018) A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences. AIP Advances, 8 (2). pp. 1-10. ISSN 2158-3226

Ható, Zoltán and Valiskó, Mónika and Kristóf, Tamás and Gillespie, Dirk and Boda, Dezső (2017) Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19 (27). pp. 17816-17826. ISSN 1463-9076

Ható, Zoltán and Boda, Dezső and Gillespie, Dirk and Vrabec, Jadran and Rutkai, Gábor and Kristóf, Tamás (2016) Simulation study of a rectifying bipolar ion channel: detailed model versus reduced model. Condensed Matter Physics, 19 (1). p. 13802. ISSN 1607-324X

Boda, Dezső and Gillespie, Dirk (2013) Calculating the Electrostatic Potential Profiles of Double Layers from Simulation Ion Density Profiles. HUNGARIAN JOURNAL OF INDUSTRY AND CHEMISTRY, 41 (2). pp. 123-130. ISSN 2450-5102

Malasics, Attila and Boda, Dezső and Valiskó, Mónika and Henderson, Douglas and Gillespie, Dirk (2010) Simulations of calcium channel block by trivalent ions: Gd3+ competes with permeant ions for the selectivity filter. Biochimica et Biophysica Acta - Biomembranes, 1798 (11). pp. 2013-2021. (Unpublished)

Boda, Dezső and Valiskó, Mónika and Henderson, Douglas and Eisenberg, Bob and Gillespie, Dirk and Nonner, Wolfgang (2009) Ionic selectivity in L-type calcium channels by electrostatics and hard-core repulsion. JOURNAL OF GENERAL PHYSIOLOGY, 133 (5). pp. 497-509. ISSN 0022-1295