2 papers
math.NA2025
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…
q-bio.BM2024
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…