Search results | J. Murrey Atkins Library

Title: Conformational entropy of an ideal cross-linking polymer chain
Author: Jacobs, Donald J., Vorov, Oleg, Livesay, Dennis R.
Date Created: 2008
Subjects--Topical: Proteins, Entropy
Description: We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cros...

Title: Statistical measures to quantify similarity between molecular dynamics simulation trajectories
Author: Jacobs, Donald J., Farmer, Jenny, Kanwal, Fareeha, Nikulsin, Nikita
Date Created: 2017
Subjects--Topical: Molecular dynamics, Statistics
Description: Molecular dynamics simulation is commonly employed to explore protein dynamics. Despite the disparate timescales between functional mechanisms and molecular dynamics (MD) trajectories, functional differences are often inferred from differences in ...

Title: Universal sample size invariant measures for uncertainty quantification in density estimation
Author: Jacobs, Donald J., Farmer, Jenny, Merino, Zach, Merino, Zach
Date Created: 2019
Subjects--Topical: Statistics, Entropy
Description: Previously, we developed a high throughput non-parametric maximum entropy method (PLOS ONE, 13(5): e0196937, 2018) that employs a log-likelihood scoring function to characterize uncertainty in trial probability density estimates through a scaled q...

Title: Functional dynamics of substrate recognition in tem beta-lactamase
Author: Jacobs, Donald J., Avery, Chris, Baker, Lonnie
Date Created: 2022
Subjects--Topical: Machine learning, Molecular dynamics
Description: The beta-lactamase enzyme provides effective resistance to beta-lactam antibiotics due to substrate recognition controlled by point mutations. Recently, extended-spectrum and inhibitor-resistant mutants have become a global health problem. Here, t...

Title: Best probability density function for random sampled data
Author: Jacobs, Donald J.
Date Created: 2009
Subjects--Topical: Statistics, Probabilities
Description: The maximum entropy method is a theoretically sound approach to construct an analytical form for the probability density function (pdf) given a sample of random events. In practice, numerical methods employed to determine the appropriate Lagrange ...

Title: Victory tax: a holistic income tax system
Author: Jacobs, Donald J.
Date Created: 2021
Subjects--Topical: Income tax, Tax deductions
Description: How can an income tax system be designed to exploit human nature and a free market to create a poverty free society, while balancing budgets without disproportional tax burdens? Such a tax system, with universal character, is deduced from the foll...