Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples
Colby, Sean M, Nuñez, Jamie R, Hodas, Nathan O, Corley, Courtney D, Renslow, Ryan R
Published in Analytical chemistry (Washington) (21.01.2020)
Published in Analytical chemistry (Washington) (21.01.2020)
Get full text
Journal Article
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets
Nuñez, Jamie R, Mcgrady, Monee, Yesiltepe, Yasemin, Renslow, Ryan S, Metz, Thomas O
Published in Journal of chemical information and modeling (28.12.2020)
Published in Journal of chemical information and modeling (28.12.2020)
Get full text
Journal Article
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples
Nuñez, Jamie R, Colby, Sean M, Thomas, Dennis G, Tfaily, Malak M, Tolic, Nikola, Ulrich, Elin M, Sobus, Jon R, Metz, Thomas O, Teeguarden, Justin G, Renslow, Ryan S
Published in Journal of chemical information and modeling (23.09.2019)
Published in Journal of chemical information and modeling (23.09.2019)
Get full text
Journal Article
Application and assessment of deep learning for the generation of potential NMDA receptor antagonists
Schultz, Katherine J, Colby, Sean M, Yesiltepe, Yasemin, Nuñez, Jamie R, McGrady, Monee Y, Renslow, Ryan S
Published in Physical chemistry chemical physics : PCCP (21.01.2021)
Published in Physical chemistry chemical physics : PCCP (21.01.2021)
Get full text
Journal Article
ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries
Colby, Sean M, Thomas, Dennis G, Nuñez, Jamie R, Baxter, Douglas J, Glaesemann, Kurt R, Brown, Joseph M, Pirrung, Meg A, Govind, Niranjan, Teeguarden, Justin G, Metz, Thomas O, Renslow, Ryan S
Published in Analytical chemistry (Washington) (02.04.2019)
Published in Analytical chemistry (Washington) (02.04.2019)
Get full text
Journal Article
High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS)
Ilhardt, Peter D., Nuñez, Jamie R., Denis, Elizabeth H., Rosnow, Joshua J., Krogstad, Eirik J., Renslow, Ryan S., Moran, James J.
Published in Soil biology & biochemistry (01.04.2019)
Published in Soil biology & biochemistry (01.04.2019)
Get full text
Journal Article
Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm
Anderton, Christopher R., Mobberley, Jennifer M., Cole, Jessica K., Nunez, Jamie R., Starke, Robert, Boaro, Amy A., Yesiltepe, Yasemin, Morton, Beau R., Cory, Alexandra B., Cardamone, Hayley C., Hofmockel, Kirsten S., Lipton, Mary S., Moran, James J., Renslow, Ryan S., Fredrickson, James K., Lindemann, Stephen R.
Published in mSystems (09.06.2020)
Published in mSystems (09.06.2020)
Get full text
Journal Article
Quantum Chemistry Calculations for Metabolomics
Borges, Ricardo M, Colby, Sean M, Das, Susanta, Edison, Arthur S, Fiehn, Oliver, Kind, Tobias, Lee, Jesi, Merrill, Amy T, Merz, Jr, Kenneth M, Metz, Thomas O, Nunez, Jamie R, Tantillo, Dean J, Wang, Lee-Ping, Wang, Shunyang, Renslow, Ryan S
Published in Chemical reviews (26.05.2021)
Published in Chemical reviews (26.05.2021)
Get full text
Journal Article
Enzymatically hydrolyzed fluorescence-based chemical probe enables in situ mapping of chitinase activity in the rhizosphere
Zegeye, Elias K., Lin, Vivian S., Nuñez, Jamie R., Sconzo, Nick A., Purvine, Samuel O., Wright, Aaron T., Moran, James J.
Published in Soil biology & biochemistry (01.09.2023)
Published in Soil biology & biochemistry (01.09.2023)
Get full text
Journal Article
Non-destructive spatial analysis of phosphatase activity and total protein distribution in the rhizosphere using a root blotting method
Lin, Vivian S., Rosnow, Joshua J., McGrady, Monee Y., Smercina, Darian N., Nuñez, Jamie R., Renslow, Ryan S., Moran, James J.
Published in Soil biology & biochemistry (01.07.2020)
Published in Soil biology & biochemistry (01.07.2020)
Get full text
Journal Article
DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data
Colby, Sean M, Chang, Christine H, Bade, Jessica L, Nunez, Jamie R, Blumer, Madison R, Orton, Daniel J, Bloodsworth, Kent J, Nakayasu, Ernesto S, Smith, Richard D, Ibrahim, Yehia M, Renslow, Ryan S, Metz, Thomas O
Published in Analytical chemistry (Washington) (26.04.2022)
Published in Analytical chemistry (Washington) (26.04.2022)
Get full text
Journal Article
On the importance of color in mass spectrometry imaging
Knizner, Kevan T., Kibbe, Russell R., Garrard, Kenneth P., Nuñez, Jamie R., Anderton, Christopher R., Muddiman, David C.
Published in Journal of mass spectrometry. (01.12.2022)
Published in Journal of mass spectrometry. (01.12.2022)
Get full text
Journal Article
Mass Spectrometry Adduct Calculator
Blumer, Madison R, Chang, Christine H, Brayfindley, Evangelina, Nunez, Jamie R, Colby, Sean M, Renslow, Ryan S, Metz, Thomas O
Published in Journal of chemical information and modeling (27.12.2021)
Published in Journal of chemical information and modeling (27.12.2021)
Get full text
Journal Article
Quantum Chemistry Calculations for Metabolomics: Focus Review
Borges, Ricardo M, Colby, Sean M, Das, Susanta, Edison, Arthur S, Fiehn, Oliver, Kind, Tobias, Lee, Jesi, Merrill, Amy T, Merz, Kenneth M, Metz, Thomas O, Nunez, Jamie R, Tantillo, Dean J, Wang, Lee-Ping, Wang, Shunyang, Renslow, Ryan S
Published in Chemical reviews (26.05.2021)
Published in Chemical reviews (26.05.2021)
Get full text
Journal Article
An automated framework for NMR chemical shift calculations of small organic molecules
Yesiltepe, Yasemin, Nuñez, Jamie R., Colby, Sean M., Thomas, Dennis G., Borkum, Mark I., Reardon, Patrick N., Washton, Nancy M., Metz, Thomas O., Teeguarden, Justin G., Govind, Niranjan, Renslow, Ryan S.
Published in Journal of cheminformatics (26.10.2018)
Published in Journal of cheminformatics (26.10.2018)
Get full text
Journal Article
Modeling Substrate Utilization, Metabolite Production, and Uranium Immobilization in Shewanella oneidensis Biofilms
Renslow, Ryan S., Ahmed, Bulbul, Nuñez, Jamie R., Cao, Bin, Majors, Paul D., Fredrickson, Jim K., Beyenal, Haluk
Published in Frontiers in environmental science (29.06.2017)
Published in Frontiers in environmental science (29.06.2017)
Get full text
Journal Article
NanoSIMS for biological applications: Current practices and analyses
Nuñez, Jamie, Renslow, Ryan, Cliff, 3rd, John B, Anderton, Christopher R
Published in Biointerphases (27.09.2017)
Published in Biointerphases (27.09.2017)
Get full text
Journal Article
Soil microbial EPS resiliency is influenced by carbon source accessibility
Bhattacharjee, Arunima, Thompson, Allison M., Schwarz, Kaitlynn C., Burnet, Meagan C., Kim, Young-Mo, Nunez, Jamie R., Fansler, Sarah J., Farris, Yuliya, Brislawn, Colin J., Metz, Thomas O., McClure, Ryan S., Renslow, Ryan S., Shor, Leslie, Jansson, Janet K., Hofmockel, Kirsten S., Anderton, Christopher R.
Published in Soil biology & biochemistry (01.12.2020)
Published in Soil biology & biochemistry (01.12.2020)
Get full text
Journal Article