The electric potential of a macromolecule in a solvent: A fundamental approach

Derivation of sensitive discrimination potential for virtual ligand screening

RECOMB '99 Proceedings of the third annual international conference on Computational molecular biology

A new version of the fast multipole method for screened Coulomb interactions in three dimensions

Journal of Computational Physics

Fast methods for simulation of biomolecule electrostatics

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

An adaptive fast solver for the modified Helmholtz equation in two dimensions

Journal of Computational Physics

A boundary element formulation of protein electrostatics with explicit ions

Journal of Computational Physics

A spectrally accurate integral equation solver for molecular surface electrostatics

Proceedings of the 2006 IEEE/ACM international conference on Computer-aided design

"New-version-fast-multipole-method" accelerated electrostatic calculations in biomolecular systems

Journal of Computational Physics

Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: High-order image approximations for reaction fields

Journal of Computational Physics

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

ACM Journal on Emerging Technologies in Computing Systems (JETC)

A new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvation

Journal of Computational Physics

Hierarchical molecular interfaces and solvation electrostatics

2009 SIAM/ACM Joint Conference on Geometric and Physical Modeling

Quasi-reversibility and truncation methods to solve a Cauchy problem for the modified Helmholtz equation

Mathematics and Computers in Simulation

A Sixth-order Image Approximation to the Ionic Solvent Induced Reaction Field

Journal of Scientific Computing

Multiscale molecular dynamics using the matched interface and boundary method

Journal of Computational Physics

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

Journal of Computational Physics

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

SIAM Journal on Scientific Computing

Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations

SIAM Review

Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation

Journal of Computational Physics