53 citations · 207 across the 23 of their papers we have counts for
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physics.comp-ph2023★ 7 cited
Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation
Michal Bosy, Matthew W. Scroggs, Timo Betcke +2
The Poisson--Boltzmann equation is widely used to model electrostatics in molecular systems. Available software packages solve it using finite difference, finite element, and bound…
physics.comp-ph2021★ 5 cited
High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm
Tingyu Wang, Christopher D. Cooper, Timo Betcke +1
Biomolecular electrostatics is key in protein function and the chemical processes affecting it. Implicit-solvent models via the Poisson-Boltzmann (PB) equation provide insights wit…