Elizabeth Jurrus
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View article: A Topological-Framework to Improve Analysis of Machine Learning Model\n Performance
A Topological-Framework to Improve Analysis of Machine Learning Model\n Performance Open
As both machine learning models and the datasets on which they are evaluated\nhave grown in size and complexity, the practice of using a few summary\nstatistics to understand model performance has become increasingly problematic.\nThis is …
View article: A Topological-Framework to Improve Analysis of Machine Learning Model Performance
A Topological-Framework to Improve Analysis of Machine Learning Model Performance Open
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 performance has become increasingly problematic. This is par…
View article: Collaborative analytics for biological facility characterization
Collaborative analytics for biological facility characterization Open
Thousands of facilities worldwide are engaged in biological research activities. One of DTRA's missions is to fully understand the types of facilities involved in collecting, investigating, and storing biological materials. This characteri…
View article: Improvements to the <scp>APBS</scp> biomolecular solvation software suite
Improvements to the <span>APBS</span> biomolecular solvation software suite Open
The Adaptive Poisson–Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemical, biological, and …
View article: PB‐AM: An open‐source, fully analytical linear poisson‐boltzmann solver
PB‐AM: An open‐source, fully analytical linear poisson‐boltzmann solver Open
We present the open source distributed software package Poisson‐Boltzmann Analytical Method (PB‐AM), a fully analytical solution to the linearized PB equation, for molecules represented as non‐overlapping spherical cavities. The PB‐AM soft…
View article: PB-AM: An Open-Source, Fully Analytical Linear Poisson-Boltzmann Solver
PB-AM: An Open-Source, Fully Analytical Linear Poisson-Boltzmann Solver Open
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 molecules represented as non-overlapping spherical cavities.…
View article: Adaptive visual sort and summary of micrographic images of nanoparticles for forensic analysis
Adaptive visual sort and summary of micrographic images of nanoparticles for forensic analysis Open
Image classification of nanoparticles from scanning electron microscopes for nuclear forensic analysis is a long, time consuming process. Months of analyst time may initially be required to sift through images in order to categorize morpho…
View article: Energy Minimization of Discrete Protein Titration State Models Using Graph Theory
Energy Minimization of Discrete Protein Titration State Models Using Graph Theory Open
There are several applications in computational biophysics that require the optimization of discrete interacting states, for example, amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can b…
View article: An ISA-Tab specification for protein titration data exchange
An ISA-Tab specification for protein titration data exchange Open
Data curation presents a challenge to all scientific disciplines to ensure public availability and reproducibility of experimental data. Standards for data preservation and exchange are central to addressing this challenge: the Investigati…