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q-bio.BM2023
Optimized Parallelization of Boundary Integral Poisson-Boltzmann Solvers
Xin Yang, Elyssa Sliheet, Reece Iriye +2
The Poisson-Boltzmann (PB) model governs the electrostatics of solvated biomolecules, i.e., potential, field, energy, and force. These quantities can provide useful information abo…
physics.chem-ph2023
Poisson-Boltzmann based machine learning (PBML) model for electrostatic analysis
Jiahui Chen, Yongjia Xu, Xin Yang +3
Electrostatics is of paramount importance to chemistry, physics, biology, and medicine. The Poisson-Boltzmann (PB) theory is a primary model for electrostatic analysis. However, it…
math.NA2023
Integral equation method for the 1D steady-state Poisson-Nernst-Planck equations
Zhen Chao, Weihua Geng, Robert Krasny
An integral equation method is presented for the 1D steady-state Poisson-Nernst-Planck equations modeling ion transport through membrane channels. The differential equations are re…