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Modeling and simulation of ion channels
Transport of ions through pores in membranes is a process of fundamental importance to
cell biology. In living organisms, such transport is facilitated by ion channels that utilize the …
cell biology. In living organisms, such transport is facilitated by ion channels that utilize the …
Poisson–boltzmann–nernst–planck model
Q Zheng, GW Wei - The Journal of chemical physics, 2011 - pubs.aip.org
The Poisson–Nernst–Planck (PNP) model is based on a mean-field approximation of ion
interactions and continuum descriptions of concentration and electrostatic potential. It …
interactions and continuum descriptions of concentration and electrostatic potential. It …
Variational multiscale models for charge transport
This work presents a few variational multiscale models for charge transport in complex
physical, chemical, and biological systems and engineering devices, such as fuel cells, solar …
physical, chemical, and biological systems and engineering devices, such as fuel cells, solar …
Second-order Poisson–Nernst–Planck solver for ion transport
Abstract The Poisson–Nernst–Planck (PNP) theory is a simplified continuum model for a
wide variety of chemical, physical and biological applications. Its ability of providing …
wide variety of chemical, physical and biological applications. Its ability of providing …
Computational modeling of ion transport through nanopores
Nanoscale pores are ubiquitous in biological systems while artificial nanopores are being
fabricated for an increasing number of applications. Biological pores are responsible for the …
fabricated for an increasing number of applications. Biological pores are responsible for the …
[HTML][HTML] Surging footprints of mathematical modeling for prediction of transdermal permeability
N Goyal, P Thatai, B Sapra - asian journal of pharmaceutical sciences, 2017 - Elsevier
In vivo skin permeation studies are considered gold standard but are difficult to perform and
evaluate due to ethical issues and complexity of process involved. In recent past, a useful …
evaluate due to ethical issues and complexity of process involved. In recent past, a useful …
Multiscale, multiphysics and multidomain models I: Basic theory
GW Wei - Journal of Theoretical and Computational Chemistry, 2013 - World Scientific
This work extends our earlier two-domain formulation of a differential geometry based
multiscale paradigm into a multidomain theory, which endows us the ability to …
multiscale paradigm into a multidomain theory, which endows us the ability to …
Conic shapes have higher sensitivity than cylindrical ones in nanopore DNA sequencing
B Tu, S Bai, B Lu, Q Fang - Scientific reports, 2018 - nature.com
Nanopores have emerged as helpful research tools for single molecule detection. Through
continuum modeling, we investigated the effects of membrane thickness, nanopore size, and …
continuum modeling, we investigated the effects of membrane thickness, nanopore size, and …
Molecular dynamics simulations of reverse osmosis in silica nanopores
Selective transport of water, salt, and ionic current across water-filled nanopores is a key
feature in a variety of natural and engineered systems including geologic media, biological …
feature in a variety of natural and engineered systems including geologic media, biological …
Effect of surface charge density and electro-osmotic flow on ionic current in a bipolar nanopore fluidic diode
We have simulated bipolar nanopore fluidic diodes for different values of surface charge
densities, electrolyte concentrations, and thickness of transition zone. Nanopore enrichment …
densities, electrolyte concentrations, and thickness of transition zone. Nanopore enrichment …