4 papers
A Nonlocal size modified Poisson-Boltzmann Model and Its Finite Element Solver for Protein in Multi-Species Ionic Solution
Dexuan Xie, Liam Jemison, Yi Jiang
The Poisson-Boltzmann (PB) model is a widely used implicit solvent model in protein simulations. Although variants, such as the size modified PB and nonlocal modified PB models, ha…
VDAC Solvation Free Energy Calculation by a Nonuniform Size Modified Poisson-Boltzmann Ion Channel Model
Liam Jemison, Matthew Stahl, Ranjan K. Dash +1
The Voltage-Dependent Anion Channel (VDAC) protein is the primary conduit for the regulated passage of ions and metabolites into and out of mitochondria. Calculating its solvation…
An Efficient Finite Element Solver for a Nonuniform size-modified Poisson-Nernst-Planck Ion Channel Model
Dexuan Xie
This paper presents an efficient finite element iterative method for solving a nonuniform size-modified Poisson-Nernst-Planck ion channel (SMPNPIC) model, along with a SMPNPIC prog…
A PNP ion channel deep learning solver with local neural network and finite element input data
Hwi Lee, Zhen Chao, Harris Cobb +2
In this paper, a deep learning method for solving an improved one-dimensional Poisson-Nernst-Planck ion channel (PNPic) model, called the PNPic deep learning solver, is presented.…