Author of the publication

A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers.

, , and . Comput. Phys. Commun., 185 (3): 720-729 (2014)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Efficient mesh refinement for the Poisson-Boltzmann equation with boundary elements., , and . CoRR, (2020)Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach., , , and . J. Chem. Inf. Model., 60 (2): 974-981 (2020)A Boundary-Integral Approach for the Poisson-Boltzmann Equation with Polarizable Force Fields.. J. Comput. Chem., 40 (18): 1680-1692 (2019)Coupling finite and boundary element methods to solve the Poisson-Boltzmann equation for electrostatics in molecular solvation., , , , and . J. Comput. Chem., 45 (11): 787-797 (April 2023)PyGBe-LSPR: Python and GPU Boundary-integral solver for electrostatics., , , and . J. Open Source Softw., 2 (19): 306 (2017)Towards optimal boundary integral formulations of the Poisson-Boltzmann equation for molecular electrostatics., , and . CoRR, (2021)Detection of mobile machine damage using accelerometer data and prognostic health monitoring techniques., , , , and . CIVVS, page 101-104. IEEE, (2009)A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers., , and . Comput. Phys. Commun., 185 (3): 720-729 (2014)Poisson-Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the PyGBe code., and . Comput. Phys. Commun., (2016)High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm., , , and . CoRR, (2021)