List of publications of Dezső Boda

[85] D. Boda, J. Giri, D. Henderson, B. Eisenberg, and D. Gillespie. Analyzing the components of the free energy landscape in a calcium selective ion
channel by Widoms particle insertion method. J. Chem. Phys., 2010. submitted.

[84] J. Giri, J. Fonseca, D. Boda, D. Henderson, and B. Eisenberg. Self-organized models of selectivity in calcium channels. Phys. Biol., 2010. submitted.

[83] J. Vincze, M. Valiskó, and D. Boda. The non-monotonic concentration dependence of the mean activity coeffcient of electrolytes is a result of a balance between solvation and ion-ion correlations. J. Chem. Phys., 2010. in press.

[82] Z. Máté, I. Szalai, D. Boda, and D. Henderson. Heat capacities of the dipolar Yukawa model polar fluid. Mol. Phys., 2010. in press.

[81] D. Henderson and D. Boda. Mean spherical approximation for the Yukawa fluid radial distribution function. Mol. Phys., 2010. in press.

[80] M. Malasics, D. Boda, M. Valiskó, D. Henderson, and D. Gillespie. Simulations of calcium channel block by trivalent ions: Gd3+ competes with permeant ions for the selectivity filter. Biochim. et Biophys. Acta - Biomembranes, 1798(11):2013-2021, 2010.

[79] G. Rutkai, D. Boda, and T. Kristóf. Relating binding affinity to dynamical selectivity from dynamic Monte Carlo simulations of a model calcium channel. J. Phys. Chem. Lett., 1(14):2179-2184, 2010.

[78] A. Malasics and D. Boda. An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes. J. Chem. Phys., 132(24):244103, 2010.

[77] M. Valiskó, T. Varga, A. Baczoni, and D. Boda. The structure of strongly dipolar hard sphere fluids with extended dipoles by Monte Carlo simulations. Mol. Phys., 108(1):87-96, 2010.

[76] A. Malasics, D. Gillespie, W. Nonner, D. Henderson, B. Eisenberg, and D. Boda. Protein structure and ionic selectivity in calcium channels: Selectivity filter size, not shape, matters. Biochim. et Biophys. Acta - Biomembranes, 1788(12):2471-2480, 2009.

[75] M. Valiskó and D. Boda. Correction to the Clausius-Mosotti equation: the dielectric constant of nonpolar fluids from Monte Carlo simulations. J. Chem. Phys., 131(16):064120, 2009.

[74] D. Boda, M. Valiskó, D. Henderson, B. Eisenberg, D. Gillespie, and W. Nonner. Ion selectivity in L-type calcium channels by electrostatics and hard-core repulsion. J. Gen. Physiol., 133(5):497-509, 2009.

[73] Y. He, D. Gillespie, D. Boda, I. Vlassiouk, R. S. Eisenberg, and Z. S. Siwy. Tuning transport properties of nano-fluidic devices with local charge inversion. JACS, 131(14):5194-5202, 2009.

[72] D. Henderson and D. Boda. Insights from theory and simulation on the electrical double layer. Phys. Chem. Chem. Phys., 11(20):3822-3830, 2009.

[71] D. Boda, M Valiskó, D. Henderson, D. Gillespie, B. Eisenberg, and M. K. Gilson. Ions and inhibitors in the binding site of HIV Protease: Comparison of Monte Carlo simulations and the linearized Poisson-Boltzmann theory. Biophys. J., 96(4):1293-1306, 2009.

[70] D. Boda and D. Henderson. The effects of deviations from Lorentz-Berthelot rules on the properties of a simple mixture. Mol. Phys., 106(20):2367-2370, 2008.

[69] D. Gillespie and D. Boda. The anomalous mole fraction effect in calcium channels: A measure of preferential selectivity. Biophys. J., 95(6):2658-2672, 2008.

[68] D. Gillespie, D. Boda, Y. He, P. Apel, and Z.S. Siwy. Synthetic nanopores as a test case for ion channel theories: The anomalous mole fraction effect without single filing. Biophys. J., 95(2):609-619, 2008.

[67] A. Malasics, D. Gillespie, and D. Boda. Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms. J. Chem. Phys., 128(12):124102, 2008.

[66] D. Boda, W. Nonner, D. Henderson, B. Eisenberg, and D D. Gillespie. Volume exclusion in calcium selective channels. Biophys. J., 94(9):3486-3496, 2008.

[65] D. Di Caprio, M. Valiskó, M. Holovko, and D. Boda. Simple extension of a field theory approach for the description of the double layer accounting for excluded volume effects. J. Phys. Chem. C, 111(43):15700-15705, 2007.

[64] M. Valiskó, D. Gillespie, and D. Boda. Selective adsorption of ions with different diameter and valence at highly-charged interfaces. J. Phys. Chem. C, 111(43):15575-15585, 2007.

[63] D. Boda, W. Nonner, M. Valiskó, D. Henderson, B. Eisenberg, and D. Gillespie. Steric selectivity in Na channels arising from protein polarization and mobile side chains. Biophys. J, 93(6):1960-1980, 2007.

[62] D. Boda, M. Valiskó, B. Eisenberg, W. Nonner, D. Henderson, and D. Gillespie. Combined effect of pore radius and protein dielectric coeffcient on the selectivity of a calcium channel. Phys. Rev. Lett., 98(16):168102, 2007.

[61] M. Valiskó, D. Henderson, and D. Boda. The capacitance of the electrical double layer of valence-asymmetric salts at low reduced temperatures. J. Mol. Liquids, 131-132:179-184, 2007.

[60] D. Di Caprio, M. Valiskó, M. Holovko, and D. Boda. Anomalous temperature dependence of the differential capacitance in valence asymmetric electrolytes. Comparison of Monte Carlo simulation results and the field theoretical approach. Mol. Phys., 104(22-24):3777-3786, 2006.

[59] A. Malasics, D. Boda, and M. Valiskó. Monte Carlo simulation and renormalized perturbation theory study of the dielectric properties of mixtures of polarizable hard spheres and polarizable dipolar hard spheres. Mol. Phys., 104(22-24):3821-3830, 2006.

[58] D. Boda, M. Valiskó, B. Eisenberg, W. Nonner, D. Henderson, and D. Gillespie. The effect of protein dielectric coefficient on the ionic selectivity of a calcium channel. J. Chem. Phys., 125(3):034901, 2006.

[57] D. Gillespie, N. Valiskó, and D. Boda. Density functional theory of the electrical double layer: the RFD functional. J. Physics-condensed Matter, 17(42):6609-6626, 2005.

[56] D. Henderson, D. Gillespie, T. Nagy, and D. Boda. Monte Carlo simulation of the electric double layer: dielectric boundaries and the effects of induced charge. Mol. Phys., 103(21-23):2851-2861, 2005.

[55] M. Valiskó and D. Boda. Dielectric constant of the polarizable dipolar hard sphere fluid studied by Monte Carlo simulation and theories. Condensed Matter Phys., 8(2):357-376, 2005.

[54] D. Henderson and D. Boda. On a conjecture of Fawcett. J. Electroanalytical Chem., 582(1-2):16-20, 2005.

[53] M. Valiskó and D. Boda. Relative permittivity of polar liquids. Comparison of theory, experiment, and simulation. J. Phys. Chem. B, 109(13):6355-6365, 2005.

[52] J. Reszko-Zygmunt, S. Sokolowski, D. Henderson, and D. Boda. Temperature dependence of the double layer capacitance for the restricted primitive model of an electrolyte solution from a density functional approach. J. Chem. Phys., 122(8):084504, 2005.

[51] M. Valiskó, D. Henderson, and D. Boda. Competition between the effects of asymmetries in ion diameters and charges in an electrical double layer studied by Monte Carlo simulations and theories. J. Phys. Chem. B, 108(42):16548-16555, 2004.

[50] D. Boda, D. Gillespie, W. Nonner, D. Henderson, and B. Eisenberg. Computing induced charges in inhomogeneous dielectric media: Application in a Monte Carlo simulation of complex ionic systems. Phys. Rev. E, 69(4):046702, 2004.

[49] T. Kristóf, D. Boda, and D. Henderson. Phase separation in mixtures of Yukawa and charged Yukawa particles from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation. J. Chem. Phys., 120(6):2846-2850, 2004.

[48] D. Boda, T. Varga, D. Henderson, D. D. Busath, W. Nonner, D. Gillespie, and B. Eisenberg. Monte Carlo simulation study of a system with a dielectric boundary: Application to calcium channel selectivity. Mol. Simulation, 30(2-3):89-96, 2004.

[47] D. Boda, D. Henderson, P. Plaschko, and W. R. Fawcett. Monte Carlo and density functional theory study of the electrical double layer: The dependence of the charge/voltage relation on the diameter of the ions. Mol. Simulation, 30(2-3):137-141, 2004.

[46] M. Valiskó, D. Boda, J. Liszi, and I. Szalai. A systematic Monte Carlo simulation and renormalized perturbation theoretical study of the dielectric constant of the polarizable Stockmayer fluid. Mol. Phys., 101(14):2309-2313, 2003.

[45] T. Kristóf, D. Boda, J. Liszi, D. Henderson, and E. Carlson. Vapour-liquid equilibrium of the charged Yukawa fluid from Gibbs ensemble Monte Carlo simulations and the mean spherical approximation. Mol. Phys., 101(11):1611-1616, 2003.

[44] Y. Yang, D. Boda, D. Henderson, and D. D. Busath. Computer simulation studies of the selectivity and sonductance of a model calcium channel. J. Comp. Electronics, 1(3):353-357, 2002.

[43] D. Boda, D. Henderson, L. M. Y. Teran, and S. Sokolowski. The application of density functional theory and the generalized mean spherical approximation to double layers containing strongly coupled ions. J. Physics-condensed Matter, 14(46):11945-11954, 2002.

[42] D. Boda and D. Henderson. Computer simulation of the selectivity of a model calcium channel. J. Physics-condensed Matter, 14(41):9485-9488, 2002.

[41] D. Boda, D. D. Busath, B. Eisenberg, D. Henderson, and W. Nonner. Monte Carlo simulations of ion selectivity in a biological Na channel: Charge-space competition. Phys. Chem. Chem. Phys., 4(20):5154-5160, 2002.

[40] T. Kristóf, J. Liszi, and D. Boda. The extrapolation of phase equilibrium curves of mixtures in the isobaric-isothermal Gibbs ensemble. Mol. Phys., 100(21):3429-3441, 2002.

[39] M. Valiskó, D. Boda, J. Liszi, and I. Szalai. The dielectric constant of polarizable fluids from the renormalized perturbation theory. Mol. Phys., 100(20):3239-3243, 2002.

[38] D. Boda, D. D. Busath, and D. Henderson. Simulation of the selectivity of a calcium channel. Appl. Surf. Science, 196(1-4):154-156, 2002.

[37] D. Boda, D. Henderson, and D. D. Busath. Monte Carlo study of the selectivity of calcium channels: improved geometrical model. Mol. Phys., 100(14):2361-2368, 2002.

[36] D. Boda, T. Kristóf, J. Liszi, and I. Szalai. The extrapolation of the vapour-liquid equilibrium curves of pure fluids in the isothermal Gibbs ensemble. Mol. Phys., 100(12):1989-2000, 2002.

[35] D. Boda, W. R. Fawcett, D. Henderson, and S. Sokolowski. Monte Carlo, density functional theory, and Poisson-Boltzmann theory study of the structure of an electrolyte near an electrode. J. Chem. Phys., 116(16):7170-7176, 2002.

[34] D. Boda, D. Henderson, and D. D. Busath. Monte Carlo study of the effect of ion and channel size on the selectivity of a model calcium channel. J. Phys. Chem. B, 105(47):11574-11577, 2001.

[33] D. Boda, T. Kristóf, J. Liszi, and I. Szalai. A new simulation method for the determination of phase equilibria in mixtures in the grand canonical ensemble. Mol. Phys., 99(24):2011-2022, 2001.

[32] M. Valiskó, D. Boda, J. Liszi, and I. Szalai. Relative permittivity of dipolar liquids and their mixtures. Comparison of theory and experiment. Phys. Chem. Chem. Phys., 3(15):2995-3000, 2001.

[31] L. Mier-Y-Teran, D. Boda, D. Henderson, and S. E. Quinones-Cisneros. On the low temperature anomalies in the properties of the electrochemical interface. A non-local free-energy density functional approach. Mol. Phys., 99(15):1323-1328, 2001.

[30] D. Boda, D. Henderson, A. Patrykiejew, and S. Sokolowski. Density functional study of a simple membrane using the solvent primitive model. J. Colloid Interface Science, 239(2):432-439, 2001.

[29] M. Holovko, V. Kapko, D. Henderson, and D. Boda. On the influence of ionic association on the capacitance of an electrical double layer. Chem. Phys. Lett., 341(3-4):363-368, 2001.

[28] T. Kristóf, D. Boda, I. Szalai, and D. Henderson. A Gibbs ensemble Monte Carlo study of phase coexistence in the solvent primitive model. J. Chem. Phys., 113(17):7488-7491, 2000.

[27] B. V. R. Tata, D. Boda, D. Henderson, A. Nikolov, and D. T. Wasan. Structure of charged colloids under a wedge confinement. Phys. Rev. E, 62(3):3875-3881, 2000.

[26] D. Boda, D. D. Busath, D. Henderson, and S. Sokolowski. Monte Carlo simulations of the mechanism for channel selectivity: The competition between volume exclusion and charge neutrality. J. Phys. Chem. B, 104(37):8903-8910, 2000.

[25] D. Henderson, D. Boda, and D. T. Wasan. A generalized mean spherical approximation of the anomalies in the electrochemical double layer for strong ionic interactions. Chem. Phys. Lett., 325(5-6):655-660, 2000.

[24] P. S. Crozier, R. L. Rowley, D. Henderson, and D. Boda. A corrected 3D Ewald calculation of the low effective temperature properties of the electrochemical interface. Chem. Phys. Lett., 325(5-6):675-677, 2000.

[23] S. Varga, D. Boda, D. Henderson, and S. Sokolowski. Density functional theory and the capillary evaporation of a liquid in a slit. J. Colloid Interface Science, 227(1):223-226, 2000.

[22] D. Boda, D. Henderson, A. Patrykiejew, and S. Sokolowski. Simulation and density functional study of a simple membrane. II. Solvent effects using the solvent primitive model. J. Chem. Phys., 113(2):802-806, 2000.

[21] D. Boda and D. Henderson. The capacitance of the solvent primitive model double layer at low effective temperatures. J. Chem. Phys., 112(20):8934-8938, 2000.

[20] P. Bryk, A. Patrykiejew, S. Sokolowski, D. Boda, and D. Henderson. Ions at membranes: a density functional approach. Phys. Chem. Chem. Phys., 2(2):269-276, 2000.

[19] D. Boda, D. Henderson, R. Rowley, and S. Sokolowski. Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes. J. Chem. Phys., 111(20):9382-9388, 1999.

[18] D. Boda, D. Henderson, K. Y. Chan, and D. T. Wasan. Low temperature anomalies in the properties of the electrochemical interface. Chem. Phys. Lett., 308(5-6):473-478, 1999.

[17] D. Boda, K. Y. Chan, D. Henderson, D. T. Wasan, and A. D. Nikolov. Structure and pressure of a hard sphere fluid in a wedge-shaped cell or meniscus. Langmuir, 15(13):4311-4313, 1999.

[16] I. Szalai, D. Henderson, D. Boda, and K. Y. Chan. Thermodynamics and structural properties of the dipolar Yukawa fluid. J. Chem. Phys., 111(1):337-344, 1999.

[15] D. Henderson, D. Boda, I. Szalai, and K. Y. Chan. The mean spherical approximation for a dipolar Yukawa fluid. J. Chem. Phys., 110(15):7348-7353, 1999.

[14] D. Boda, D. Henderson, and K. Y. Chan. Monte Carlo study of the capacitance of the double layer in a model molten salt. J. Chem. Phys., 110(11):5346-5350, 1999.

[13] D. Henderson, D. Boda, K. Y. Chan, and D. T. Wasan. Phase separation in fluid additive hard sphere mixtures? Mol. Phys., 95(2):131-135, 1998.

[12] D. Boda, K. Y. Chan, and D. Henderson. Monte Carlo simulation of an ion-dipole mixture as a model of an electrical double layer. J. Chem. Phys., 109(17):7362-7371, 1998.

[11] D. Boda, K. Y. Chan, and I. Szalai. Determination of vapour-liquid equilibrium using cavity-biased grand canonical Monte Carlo method. Mol. Phys., 92(6):1067-1072, 1997.

[10] D. Boda, J. Liszi, and I. Szalai. The extended NpT and NVT plus test particle methods for the determination of vapour-liquid equilibria of pure fluids. Magyar Kémiai Folyóirat, 102(12):523-534, 1996.

[9] D. Boda, T. Lukács, J. Liszi, and I. Szalai. The isochoric-, isobaric- and saturation-heat capacities of the Lennard-Jones fluid from equations of state and Monte Carlo simulations. Fluid Phase Equilibria, 119(1-2):1-16, 1996.

[8] D. Boda, B. Kalmár, J. Liszi, and I. Szalai. Fluid-fluid equilibrium of a mixture of non-polar and dipolar hard spheres in an applied field. J. Chem. Society-Faraday Transactions, 92(15):2709-2714, 1996.

[7] D. Boda, J. Liszi, and I. Szalai. A new simulation method for the determination of the vapour-liquid equilibria in the grand canonical ensemble. Chem. Phys. Lett., 256(4-5):474-482, 1996.

[6] D. Boda, J. C. Winkelmann, J. Liszi, and I. Szalai. Vapour-liquid equilibrium of Stockmayer fluids in applied field - Application of the NpTE plus test particle method and perturbation theory. Mol. Phys., 87(3):601-624, 1996.

[5] I. Szalai, J. Liszi, and D. Boda. The NVT plus test particle method for the determination of the vapor-liquid-equilibria of pure fluids. Chem. Phys. Lett., 246(3):214-220, 1995.

[4] D. Boda, J. Liszi, and I. Szalai. Preliminary communication - dielectric-constant of a Stockmayer fluid along the vapor-liquid coexistence curve. Mol. Phys., 85(3):429-434, 1995.

[3] D. Boda, J. Liszi, and I. Szalai. An extension of the NpT plus test particle method for the determination of the vapor-liquid-equilibria of pure fluids. Chem. Phys. Lett., 235(1-2):140-145, 1995.

[2] D. Boda, I. Szalai, and J. Liszi. Influence of static electric-field on the vapor-liquid coexistence of dipolar soft-sphere fluids. J. Chem. Society-faraday Transactions, 91(5):889-894, 1995.

[1] J. Liszi, D. Boda, and I. Szalai. Perturbation theoretical results of thermodynamic and dielectric studies on polar fluids. ACH-Models in Chem., 132(1-2):31-43, 1995.