Accurate, robust, and reliable calculations of Poisson-Boltzmann binding energies

ESES: Software for Eulerian solvent excluded surface

(2017) Beibei Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Multiscale method for modeling binding phenomena involving large objects: application to kinesin motor domains motion along microtubules

(2016) Lin Li et al.   Scientific Reports

A new finite element and finite difference hybrid method for computing electrostatics of ionic solvated biomolecule

(2015) Jinyong Ying et al.   JOURNAL OF COMPUTATIONAL PHYSICS

MIB Galerkin method for elliptic interface problems

(2014) Kelin Xia et al.   JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS

AFMPB: An adaptive fast multipole Poisson–Boltzmann solver for calculating electrostatics in biomolecular systems

(2013) Benzhuo Lu et al.   COMPUTER PHYSICS COMMUNICATIONS

A treecode-accelerated boundary integral Poisson–Boltzmann solver for electrostatics of solvated biomolecules

(2013) Weihua Geng et al.   JOURNAL OF COMPUTATIONAL PHYSICS

A general and Robust Ray-Casting-Based Algorithm for Triangulating Surfaces at the Nanoscale

(2013) Sergio Decherchi et al.   PLoS One

Biomolecular electrostatics and solvation: a computational perspective

(2012) Pengyu Ren et al.   QUARTERLY REVIEWS OF BIOPHYSICS

DelPhi: a comprehensive suite for DelPhi software and associated resources

(2012) Lin Li et al.   BMC Biophysics

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

(2010) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

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

(2010) Mohammad Mirzadeh et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Performance of Nonlinear Finite-Difference Poisson−Boltzmann Solvers

(2009) Qin Cai et al.   Journal of Chemical Theory and Computation

PBEQ-Solver for online visualization of electrostatic potential of biomolecules

(2008) Sunhwan Jo et al.   NUCLEIC ACIDS RESEARCH