Now showing items 1-6 of 6
A critical investigation of the Tanford-Kirkwood scheme by means of Monte Carlo simulations
(Cold Spring Harbor Lab Press, 2001-07-01)
Monte Carlo simulations are used to assess the adequacy of the Tanford-Kirkwood prescription for electrostatic interactions in macromolecules. Within a continuum dielectric framework, the approach accurately describes salt ...
Monte Carlo and modified Tanford-Kirkwood results for macromolecular electrostatics calculations
(Amer Chemical Soc, 2006-05-04)
The understanding of electrostatic interactions is an essential aspect of the complex correlation between structure and function of biological macromolecules. It is also important in protein engineering and design. Theoretical ...
Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions
In this work we investigate the adsorption of polyelectrolyte chains onto uniformly charged cylindrical macroions by means of the Metropolis Monte Carlo simulations and weighted histogram analysis method. Adopting a ...
Computer simulation of configurational properties of partially ionized polyelectrolytes
(Elsevier B.V., 2014)
Fluorescence study of the interaction between metal ions and methyl methacrylate methacrylic acid copolymers in aqueous solutions: thallium(I), calcium(II), and terbium(III)
The binding of the cations thallium(I), calcium(II) and terbium(III) to methyl methacrylate-methacrylic acid copolymers with different fractions of acid groups (x) has been studied in aqueous solution at, various pH values ...
Simulation of a perfectly dielectric drop in electro-osmotic flow of an electrolyte through a microchannel
(The Journal of Engineering and Exact Sciences, 2017)