2.6k citations · 2.6k across the 5 of their papers we have counts for
5 papers
A Topological-Framework to Improve Analysis of Machine Learning Model Performance
Henry Kvinge, Colby Wight, Sarah Akers +7
As both machine learning models and the datasets on which they are evaluated have grown in size and complexity, the practice of using a few summary statistics to understand model p…
Improvements to the APBS biomolecular solvation software suite
Elizabeth Jurrus, Dave Engel, Keith Star +21
The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact i…
PB-AM: An Open-Source, Fully Analytical Linear Poisson-Boltzmann Solver
Lisa E. Feldberg, David H. Brookes, Eng-Hui Yap +3
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for m…
An ISA-Tab specification for protein titration data exchange
Chase P. Dowling, Elizabeth Jurrus, Sylvia Johnson +1
Data curation presents a challenge to all scientific disciplines to ensure public availability and reproducibility of experimental data. Standards for data preservation and exchang…
Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
Emilie Purvine, Kyle Monson, Elizabeth Jurrus +2
There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states…