NanoSIMS for biological applications: current practices and analyses J Nuñez, R Renslow, JB Cliff, CR Anderton Biointerphases 13 (3), 2018 | 205 | 2018 |
Optimizing colormaps with consideration for color vision deficiency to enable accurate interpretation of scientific data JR Nuñez, CR Anderton, RS Renslow PloS one 13 (7), e0199239, 2018 | 156 | 2018 |
ISiCLE: a quantum chemistry pipeline for establishing in silico collision cross section libraries SM Colby, DG Thomas, JR Nuñez, DJ Baxter, KR Glaesemann, JM Brown, ... Analytical chemistry 91 (7), 4346-4356, 2019 | 98 | 2019 |
Deep Learning to Generate in Silico Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples SM Colby, JR Nuñez, NO Hodas, CD Corley, RR Renslow Analytical chemistry 92 (2), 1720-1729, 2019 | 75 | 2019 |
Quantum chemistry calculations for metabolomics: Focus review RM Borges, SM Colby, S Das, AS Edison, O Fiehn, T Kind, J Lee, ... Chemical reviews 121 (10), 5633-5670, 2021 | 54 | 2021 |
An automated framework for NMR chemical shift calculations of small organic molecules Y Yesiltepe, JR Nuñez, SM Colby, DG Thomas, MI Borkum, PN Reardon, ... Journal of cheminformatics 10, 1-16, 2018 | 49 | 2018 |
High-resolution elemental mapping of the root-rhizosphere-soil continuum using laser-induced breakdown spectroscopy (LIBS) PD Ilhardt, JR Nuñez, EH Denis, JJ Rosnow, EJ Krogstad, RS Renslow, ... Soil Biology and Biochemistry 131, 119-132, 2019 | 42 | 2019 |
An introduction to the benchmarking and publications for non-targeted analysis working group BJ Place, EM Ulrich, JK Challis, A Chao, B Du, K Favela, YL Feng, ... Analytical chemistry 93 (49), 16289-16296, 2021 | 36 | 2021 |
Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool G Black, C Lowe, T Anumol, J Bade, K Favela, YL Feng, A Knolhoff, ... Analytical and Bioanalytical Chemistry 415 (1), 35-44, 2023 | 22 | 2023 |
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples JR Nuñez, SM Colby, DG Thomas, MM Tfaily, N Tolic, EM Ulrich, ... Journal of chemical information and modeling 59 (9), 4052-4060, 2019 | 20* | 2019 |
Serine-rich repeat adhesins mediate shear-enhanced streptococcal binding to platelets O Yakovenko, J Nunez, B Bensing, H Yu, J Mount, J Zeng, J Hawkins, ... Infection and immunity 86 (6), 10.1128/iai. 00160-18, 2018 | 20 | 2018 |
Soil microbial EPS resiliency is influenced by carbon source accessibility A Bhattacharjee, AM Thompson, KC Schwarz, MC Burnet, YM Kim, ... Soil Biology and Biochemistry 151, 108037, 2020 | 18 | 2020 |
DEIMoS: an open-source tool for processing high-dimensional mass spectrometry data SM Colby, CH Chang, JL Bade, JR Nunez, MR Blumer, DJ Orton, ... Analytical chemistry 94 (16), 6130-6138, 2022 | 16 | 2022 |
Application and assessment of deep learning for the generation of potential NMDA receptor antagonists KJ Schultz, SM Colby, Y Yesiltepe, JR Nuñez, MY McGrady, RS Renslow Physical Chemistry Chemical Physics 23 (2), 1197-1214, 2021 | 11 | 2021 |
Modeling Substrate Utilization, Metabolite Production, and Uranium Immobilization in Shewanella oneidensis Biofilms RS Renslow, B Ahmed, JR Nuñez, B Cao, PD Majors, JK Fredrickson, ... Frontiers in Environmental Science 5, 30, 2017 | 11 | 2017 |
Mass spectrometry adduct calculator MR Blumer, CH Chang, E Brayfindley, JR Nunez, SM Colby, RS Renslow, ... Journal of chemical information and modeling 61 (12), 5721-5725, 2021 | 9 | 2021 |
Non-destructive spatial analysis of phosphatase activity and total protein distribution in the rhizosphere using a root blotting method VS Lin, JJ Rosnow, MY McGrady, DN Smercina, JR Nuñez, RS Renslow, ... Soil Biology and Biochemistry 146, 107820, 2020 | 8 | 2020 |
NanoSIMS for biological applications: current practices and analyses. Biointerphases 13: 03B301 J Nuñez, R Renslow, JB Cliff, CR Anderton | 8 | 2018 |
On the importance of color in mass spectrometry imaging KT Knizner, RR Kibbe, KP Garrard, JR Nuñez, CR Anderton, ... Journal of Mass Spectrometry 57 (12), e4898, 2022 | 7 | 2022 |
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets JR Nuñez, M Mcgrady, Y Yesiltepe, RS Renslow, TO Metz Journal of chemical information and modeling 60 (12), 6251-6257, 2020 | 6 | 2020 |