Refinement of Highly Flexible Protein Structures using Simulation‐Guided Spectroscopy
J. M. Hays, M. K. Kieber, J. Z. Li, J. I. Han, L. Columbus, P. M. Kasson, Angew. Chem. Int. Ed. 2018, 57, 17110.
Curriculum Vitae
Education
- B.S. in Physics, Summa Cum Laude. College of William and Mary. Jan. 2014. Minor in Mathematics. GPA: 3.84/4.0
- Ph.D in Biomedical Engineering, University of Virginia, Nov. 2019
Publications and presentations at scientific meetings
Conformational Intermediate That Controls KPC-2 Catalysis and Beta-Lactam Drug Resistance
Conformational Intermediate That Controls KPC-2 Catalysis and Beta-Lactam Drug Resistance. George A. Cortina, Jennifer M. Hays, and Peter M. Kasson ACS Catalysis 2018 8 (4), 2741-2747.
gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulation
M Eric Irrgang, Jennifer M Hays, Peter M Kasson, gmxapi: a high-level interface for advanced control and extension of molecular dynamics simulations, Bioinformatics, Volume 34, Issue 22, 15 November 2018, Pages 3945–3947.
Hybrid Refinement of Heterogeneous Conformational Ensembles Using Spectroscopic Data
Hybrid Refinement of Heterogeneous Conformational Ensembles Using Spectroscopic Data. Jennifer M. Hays, David S. Cafiso, and Peter M. Kasson. The Journal of Physical Chemistry Letters 2019 10 (12), 3410-3414.
Blue Waters Symposium 2018
Talk at NCSA, NSF, Sunriver, Oregon
Blue Waters Symposium 2019
Talk at NCSA, NSF, Sunriver, Oregon
Scientific experience
- 2018 - present, Research Assistant, University of Virginia.
- Development of methods and software for inferring correlations structures of non-parametric spectroscopic data.
- Supervisor: Dr. Peter Kasson, Department of Molecular Physiology and Biological Physics
- 2017 - 2018, Research Assistant, University of Virginia.
- Development of methods and software for improved hybrid refinement of heterogeneous conformational ensembles.
- Supervisor: Dr. Peter Kasson, Department of Molecular Physiology and Biological Physics
- 2015 - 2017, Research Assistant, University of Virginia.
- Development of methods and software for simulation-guided spectroscopy.
- Supervisor: Dr. Peter Kasson, Department of Molecular Physiology and Biological Physics
- 2014, Research Assistant, University of Virginia.
- Machine learning techniques for prediction of antibiotic resistance profiles.
- Supervisor: Dr. Peter Kasson, Department of Molecular Physiology and Biological Physics
- 2012 - 2013, Honors Undergraduate Research, College of William and Mary.
- Studied a non-Standard model of electroweak symmetry breaking. Determined bounds on the model based on current data from Large Hadron Collider and analyzed new decay channels.
- Supervisor: Professor Christopher Carone, Department of Physics.
- 2011, Undergraduate Research, College of William and Mary
- Supervisor: Dr. Christopher Benner, Department of Physics.
- Data analysis of methane spectra emitted from Pluto.
Teaching
Awards and Honors
- 2018 - present, Software Fellow for Molecular Sciences Software Institute, NSF.
- 2017 - 2018, Blue Waters Graduate Fellowship, NSF.
- 2017, ARCS Endowment Scholar, DC-Metro Chapter of ARCS Foundation.
- 2015 - 2017, Biophysics Training Grant, NIH.
- 2014 - 2015, Commonwealth Fellowship, The University of Virginia, College of Engineering and Applied Sciences.
- 2012, E. Gary Clark Memorial Scholarship, College of William and Mary, Department of Physics.
- 2009, Monroe Scholar, College of William and Mary.