PNNL

Jamie R. Nuñez is a data scientist at PNNL. She is currently pursuing a PhD under the supervision of Ryan Renslow in the Department of Chemical Engineering at the University of Washington. Her work encompasses the full metabolomics pipeline (from experimental methods to interpretation of final results), but has primarily focused on scoring for the reporting of identification results using the multi-attribute matching engine (MAME) as well as methods to improve confidence.

• BS, Bioengineering, University of Washington
• MS, Computer Science, Georgia Institute of Technology

2020

• Colby S.M., J. Nunez, N.O. Hodas, C.D. Corley, and R.S. Renslow. 2020. "Deep learning to generate in silico chemical property libraries and candidate molecules for small molecule identification in complex samples." Analytical Chemistry 92, no. 2:1720-1729. PNNL-SA-144150. doi:10.1021/acs.analchem.9b02348

2019

• Bohutskyi P., R.S. McClure, E.A. Hill, W.C. Nelson, W.B. Chrisler, J. Nunez, and R.S. Renslow, et al. 2019. "Metabolic effects of vitamin B12 on physiology, stress resistance, growth rate and biomass productivity of Cyanobacterium stanieri planktonic and biofilm cultures." Algal Research 42. PNNL-SA-136164. doi:10.1016/j.algal.2019.101580
• Colby S.M., D.G. Thomas, J. Nunez, D.J. Baxter, K.R. Glaesemann, J.M. Brown, and M.A. Pirrung, et al. 2019. "ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries." Analytical Chemistry 91, no. 7:4346-4356. PNNL-SA-138476. doi:10.1021/acs.analchem.8b04567
• Ilhardt P.D., J. Nunez, E.H. Denis, J.J. Rosnow, E.J. Krogstad, R.S. Renslow, and J.J. Moran. 2019. "High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)." Soil Biology and Biochemistry 131. PNNL-SA-137289. doi:10.1016/j.soilbio.2018.12.029
• Nunez J., S.M. Colby, D.G. Thomas, M. Tfaily, N. Tolic, E. Ulrich, and J.R. Sobus, et al. 2019. "Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples." Journal of Chemical Information and Modeling 59, no. 9:4052-4060. PNNL-SA-148332. doi:10.1021/acs.jcim.9b00444

2018

• Nunez J., C.R. Anderton, and R.S. Renslow. 2018. "Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data." PLoS One 13, no. 7:Artice No. e0199239. PNNL-SA-130546. doi:10.1371/journal.pone.0199239
• Yesiltepe Y., J. Nunez, S.M. Colby, D.G. Thomas, M.I. Borkum, P.N. Reardon, and N.M. Washton, et al. 2018. "An automated framework for NMR chemical shift calculations of small organic molecules." Journal of Cheminformatics 10. PNNL-SA-137588. doi:10.1186/s13321-018-0305-8

2017

• Renslow R.S., B. Ahmed, J. Nunez, B. Cao, P.D. Majors, J.K. Fredrickson, and H. Beyenal. 2017. "Modeling substrate utilization, metabolite production, and uranium immobilization in Shewanella oneidensis biofilms." Frontiers in Environmental Science 5. PNNL-SA-123748. doi:10.3389/fenvs.2017.00030