Search results
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Title
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Best probability density function for random sampled data
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Author
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Jacobs, Donald J.
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Date Created
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2009
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Subjects--Topical
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Statistics, Probabilities
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Description
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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 ...
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Title
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Conformational entropy of an ideal cross-linking polymer chain
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Author
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Jacobs, Donald J., Vorov, Oleg, Livesay, Dennis R.
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Date Created
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2008
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Subjects--Topical
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Proteins, Entropy
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Description
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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...
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Title
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Functional dynamics of substrate recognition in tem beta-lactamase
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Author
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Jacobs, Donald J., Avery, Chris, Baker, Lonnie
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Date Created
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2022
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Subjects--Topical
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Machine learning, Molecular dynamics
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Description
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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...
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Title
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Statistical measures to quantify similarity between molecular dynamics simulation trajectories
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Author
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Jacobs, Donald J., Farmer, Jenny, Kanwal, Fareeha, Nikulsin, Nikita
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Date Created
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2017
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Subjects--Topical
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Molecular dynamics, Statistics
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Description
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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 ...
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Title
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Universal sample size invariant measures for uncertainty quantification in density estimation
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Author
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Jacobs, Donald J., Farmer, Jenny, Merino, Zach, Merino, Zach
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Date Created
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2019
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Subjects--Topical
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Statistics, Entropy
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Description
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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...
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Title
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Victory tax: a holistic income tax system
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Author
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Jacobs, Donald J.
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Date Created
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2021
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Subjects--Topical
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Income tax, Tax deductions
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Description
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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...