Web Servers for Computing Electrostatic Solvation Energy of an Ion Channel Protein

Letters & Science (College of) / Mathematical Sciences


We plan to update our two existing web servers, SDPBS (https://web.uwm.edu/sdpbs/) and SMPBS (https://web.uwm.edu/smpbs/), so that they include one new application of SMPBES in the calculation of pKa values. We then will establish a new web server for public to use our recently developed nonuniform size modified Poisson-Boltzmann ion channel (nuSMPBIC) model, an effective nuSMPBIC finite element iterative algorithm, and a related highly efficient software package for the calculation of electrostatic salvation free energies for a voltage-dependent anion channel in a mixture of multiple ionic species. This nuSMPBIC model and solvers have been published in the Journal of Computational Physics.

Tasks and Responsibilities

See above.

Desired Qualifications

None Listed.