A rapid finite difference algorithm, utilizing successive over-relaxation to solve the Poisson-Boltzmann equation

Rapid software prototyping in molecular modeling using the biochemical algorithms library (BALL)

Journal of Experimental Algorithmics (JEA)

BALL: Biochemical Algorithms Library

WAE '99 Proceedings of the 3rd International Workshop on Algorithm Engineering

Fast methods for simulation of biomolecule electrostatics

Proceedings of the 2002 IEEE/ACM international conference on Computer-aided design

A new approach to protein structure and function analysis using semi-structured databases

APBC '03 Proceedings of the First Asia-Pacific bioinformatics conference on Bioinformatics 2003 - Volume 19

Clustering techniques for protein surfaces

Pattern Recognition

A meshless, spectrally accurate, integral equation solver for molecular surface electrostatics

ACM Journal on Emerging Technologies in Computing Systems (JETC)

A finite element recovery approach to Green's function approximations with applications to electrostatic potential computation

Journal of Computational and Applied Mathematics

A second-order discretization of the nonlinear Poisson-Boltzmann equation over irregular geometries using non-graded adaptive Cartesian grids

Journal of Computational Physics

A Poisson-Boltzmann solver on irregular domains with Neumann or Robin boundary conditions on non-graded adaptive grid

Journal of Computational Physics

An Efficient Higher-Order Fast Multipole Boundary Element Solution for Poisson-Boltzmann-Based Molecular Electrostatics

SIAM Journal on Scientific Computing

Quasi-monte carlo methods for investigating electrostatic properties of organic pollutant molecules in solvent

LSSC'05 Proceedings of the 5th international conference on Large-Scale Scientific Computing

Poisson-boltzmann equation boundary conditions for biological applications

Mathematical and Computer Modelling: An International Journal

Prototype acetylcholine channel geometry

Mathematical and Computer Modelling: An International Journal