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Sean Colby
Sean Colby
Verified email at pnnl.gov
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Year
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
962019
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
76*2017
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
752019
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
542021
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
482018
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
402021
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
31*2017
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
302017
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
272016
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
242021
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
20*2019
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
162022
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
162018
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
162018
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
132013
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
122021
MerCat: A versatile k-mer counter and diversity estimator for database-independent property analysis obtained from metagenomic and/or metatranscriptomic sequencing data
RA White III, A Panyala, K Glass, S Colby, KR Glaesemann, C Jansson, ...
PeerJ Preprints 5, e2825v1, 2017
122017
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
112021
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
102019
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
82021
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