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Donald J. Jacobs
Research Interests
- Statistical physics
- Physics--Mathematical models
Other Scholars in Department of Physics and Optical Science
Dr. Donald J. Jacobs (Don) is a Professor of Physics at the University of North Carolina at Charlotte. His expertise is in statistical and computational physics (B.S. 1985, Union College; Ph.D.1992, Purdue University). With more than 100 papers and 4 patents on the subject, and more than 4000 citations, Don has been developing novel models for protein flexibility and stability since 1997. As an Assistant Research Professor at Michigan State University, he applied the concept of network rigidity to proteins, and developed the FIRST software to determine the Floppy and Rigid Substructure Topography within protein structure. As an Assistant Professor at California State University at Northridge, he developed a novel Distance Constraint Model (DCM) that regards network rigidity as a mechanical interaction governing the nonadditivity of conformational entropy. In 2004, the DCM was employed to obtain Quantitative Stability/Flexibility Relationships (QSFR) that reproduces protein heat capacity with empirical fitting parameters. At UNC Charlotte, Don has been focused on extending the DCM in developing the FAST software to provide a Flexibility And Stability Test for aqueous proteins while incorporating conformational dynamics. A perturbation/response method was developed in 2017 to characterize dynamic allostery using an effective elastic network extracted from molecular dynamics simulation. Don also developed non-parametric probability density estimators and machine learning methods for discriminating multivariate statistics specifically motivated to elucidate functional dynamics in proteins. Don leads the Molecular Engineering and Design subgroup within the Center for Biomedical Engineering and Sciences, and is the graduate program director for the Applied Physics MS program.
Recent Citations for Donald J. Jacobs
- A virtual pebble game to ensemble average graph rigidity
- Best probability density function for random sampled data
- Calculating ensemble averaged descriptions of protein rigidity without sampling
- Changes in Lysozyme flexibility upon mutation are frequent, large and long-ranged
- Conformational entropy of an ideal cross-linking polymer chain
- Decomposing dynamical couplings in mutated scFv antibody fragments into stabilizing and destabilizing effects
- Functional dynamics of substrate recognition in tem beta-lactamase
- High throughput nonparametric probability density estimation
- Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family
- JED: a Java essential dynamics program for comparative analysis of protein trajectories
- JEDi: Java essential dynamics inspector - a molecular trajectory analysis toolkit
- MATLAB tool for probability density assessment and nonparametric estimation
- Molecular function recognition by supervised projection pursuit machine learning
- Redistribution of flexibility in stabilizing antibody fragment mutants follows Le Chatelier's principle
- Rigidity emerges during antibody evolution in three distinct antibody systems: evidence from QSFR analysis of fab fragments
- Statistical measures to quantify similarity between molecular dynamics simulation trajectories
- Universal sample size invariant measures for uncertainty quantification in density estimation
- Variations within class-a beta-lactamase physiochemical properties reflect evolutionary and environmental patterns, but not antibiotic specificity
- Victory tax: a holistic income tax system
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