| 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 | 106 | 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 | 86 | 2019 |
| The state of rhizospheric science in the era of multi-omics: A practical guide to omics technologies RA White III, A Rivas-Ubach, MI Borkum, M Köberl, A Bilbao, SM Colby, ... Rhizosphere 3, 212-221, 2017 | 83* | 2017 |
| 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 | 66 | 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 | 53 | 2018 |
| A practical guide to metabolomics software development HY Chang, SM Colby, X Du, JD Gomez, MJ Helf, K Kechris, ... Analytical chemistry 93 (4), 1912-1923, 2021 | 49 | 2021 |
| From data to knowledge: the future of multi-omics data analysis for the rhizosphere RA White, MI Borkum, A Rivas-Ubach, A Bilbao, JP Wendler, SM Colby, ... Rhizosphere 3, 222-229, 2017 | 32 | 2017 |
| ATLAS (Automatic Tool for Local Assembly Structures)-a comprehensive infrastructure for assembly, annotation, and genomic binning of metagenomic and metatranscriptomic data RA White III, J Brown, S Colby, CC Overall, JY Lee, J Zucker, ... PeerJ Preprints 5, e2843v1, 2017 | 32* | 2017 |
| Efficient bi-directional coupling of 3D computational fluid-particle dynamics and 1D multiple path particle dosimetry lung models for multiscale modeling of aerosol dosimetry AP Kuprat, M Jalali, T Jan, RA Corley, B Asgharian, O Price, RK Singh, ... Journal of aerosol science 151, 105647, 2021 | 30 | 2021 |
| Computational fluid dynamics modeling of Bacillus anthracis spore deposition in rabbit and human respiratory airways S Kabilan, SR Suffield, KP Recknagle, RE Jacob, DR Einstein, AP Kuprat, ... Journal of Aerosol Science 99, 64-77, 2016 | 29 | 2016 |
| 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 | 22 | 2022 |
| Evaluation of In Silico Multi‐Feature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples JR Nunez, SM Colby, DG Thomas, MM Tfaily, N Toliċ, EM Ulrich, ... Journal of Chemical Information and Modeling, 2019 | 21* | 2019 |
| Efficient discrimination of natural stereoisomers of chicoric acid, an HIV-1 integrase inhibitor O Nobela, RS Renslow, DG Thomas, SM Colby, S Sitha, PB Njobeh, ... Journal of Photochemistry and Photobiology B: Biology 189, 258-266, 2018 | 18 | 2018 |
| Isolation of Tryptanthrin and Reassessment of Evidence for Its Isobaric Isostere Wrightiadione in Plants of the Wrightia Genus RC Garcellano, SGA Moinuddin, RP Young, M Zhou, ME Bowden, ... Journal of natural products 82 (3), 440-448, 2018 | 18 | 2018 |
| Relative permeability for water and gas through fractures in cement KA Rod, W Um, SM Colby, ML Rockhold, CE Strickland, S Han, AP Kuprat Plos one 14 (1), e0210741, 2019 | 14 | 2019 |
| Exploring the impacts of conformer selection methods on ion mobility collision cross section predictions FF Nielson, SM Colby, DG Thomas, RS Renslow, TO Metz Analytical chemistry 93 (8), 3830-3838, 2021 | 13 | 2021 |
| In situ casting and imaging of the rat airway tree for accurate 3D reconstruction RE Jacob, SM Colby, S Kabilan, DR Einstein, JP Carson Experimental lung research 39 (6), 249-257, 2013 | 13 | 2013 |
| Influence of alveolar mixing and multiple breaths of aerosol intake on particle deposition in the human lungs B Asgharian, O Price, AAT Borojeni, AP Kuprat, S Colby, RK Singh, W Gu, ... Journal of aerosol science 166, 106050, 2022 | 12 | 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 | 12 | 2021 |
| 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 | 11 | 2021 |