An accurate and efficient empirical approach for calculating the dielectric self-energy and ion-ion pair potential in continuum models of biological ion channels
Article Abstract:
The study presented empirical formulas for calculating the dielectric self-energy and ion-ion pair interactions in cylindrical ion channels. It concluded that use of effective ion-ion potentials greatly reduces the computer memory required to perform dynamic lattice Monte Carlo (DLMC) ion permeation simulations in dielectrically inhomogeneous environments, thus enabling treatment of larger system than a can be handled by numerically exact techniques.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Polyion adsorption onto catanionic surfaces: A Monte Carlo study
Article Abstract:
A simple model that employs Monte Carlo simulations is used to investigate the adsorption of a single and negatively charged polyion with varying flexibility onto a surface that carries both negative and positive charges. The polyion represents a sequence of negatively charged hard spheres connected with harmonic bonds, and charged hard spheres also represent the charged surface groups.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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The kinetics of DNA-cationic vesicle complex formation
Article Abstract:
Stopped-flow fluorescence studies are performed to investigate the kinetics formation of complexes between DNA and cationic vesicles. The results indicate the existence of three-step mechanism for cationic vesicle "binding" to DNA.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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