Unconditionally stable time splitting methods for the electrostatic analysis of solvated biomolecules

zbMath1355.92038arXiv1410.2788MaRDI QIDQ2957215

Leighton Wilson, Shan Zhao

Publication date: 25 January 2017

Full work available at URL: https://arxiv.org/abs/1410.2788

zbMATH Keywords

alternating direction implicitelectrostatic free energynonlinear Poisson-Boltzmann equationpseudo-transient continuation approachtime splittinglocally one dimensionaladditive operator splitting

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Computational methods for problems pertaining to biology (92-08)

Related Items (3)

On developing stable finite element methods for pseudo-time simulation of biomolecular electrostatics ⋮ Pseudo-transient ghost fluid methods for the Poisson-Boltzmann equation with a two-component regularization ⋮ A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states

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