Neural network Poisson-Boltzmann electrostatics for biomolecular interactions Article

Huang, Zunding, Li, Bo, Wang, Zhongming et al. (2026). Neural network Poisson-Boltzmann electrostatics for biomolecular interactions . Journal of Computational Physics, 544 10.1016/j.jcp.2025.114446

International Collaboration

cited authors

  • Huang, Zunding; Li, Bo; Wang, Zhongming; Zhang, Zhiwen

authors

publication date

  • January 1, 2026

published in

keywords

  • ALGORITHM
  • Biomolecular electrostatic energy
  • Computer Science
  • Computer Science, Interdisciplinary Applications
  • DEEP RITZ METHOD
  • EQUATION
  • FREE-ENERGY
  • HYDRATION
  • MOLECULAR SOLVATION
  • Monte Carlo simulations
  • Neural networks
  • Physical Sciences
  • Physics
  • Physics, Mathematical
  • Poisson-Boltzmann equation
  • Science & Technology
  • Stochastic gradient descent
  • Technology
  • Weight transferability

Digital Object Identifier (DOI)

volume

  • 544