Publications by authors named "Ryan Renslow"

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Correction: Nielson et al. Similarity Downselection: Finding the Most Dissimilar Molecular Conformers for Reference-Free Metabolomics. 2023, , 105.
Felicity F Nielson, Bill Kay, Stephen J Young, Sean M Colby, Ryan S Renslow

Metabolites· November 2023

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Daylight-driven carbon exchange through a vertically structured microbial community.
James J Moran, Hans C Bernstein, Jennifer M Mobberley, Allison M Thompson, Young-Mo Kim, Ryan S Renslow

Front Microbiol· May 2023

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Similarity Downselection: Finding the Most Dissimilar Molecular Conformers for Reference-Free Metabolomics.
Felicity F Nielson, Bill Kay, Stephen J Young, Sean M Colby, Ryan S Renslow

Metabolites· January 2023

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An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts.
Yasemin Yesiltepe, Niranjan Govind, Thomas O Metz, Ryan S Renslow

J Cheminform· September 2022

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DEIMoS: An Open-Source Tool for Processing High-Dimensional Mass Spectrometry Data.
Sean M Colby, Christine H Chang, Jessica L Bade, Jamie R Nunez, Madison R Blumer, Ryan S Renslow

Anal Chem· April 2022

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Proton Affinity Values of Fentanyl and Fentanyl Analogues Pertinent to Ambient Ionization and Detection.
Elizabeth H Denis, Jessica L Bade, Ryan S Renslow, Kelsey A Morrison, Megan K Nims

J Am Soc Mass Spectrom· March 2022

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NP-MRD: the Natural Products Magnetic Resonance Database.
David S Wishart, Zinat Sayeeda, Zachary Budinski, AnChi Guo, Brian L Lee, Ryan Renslow

Nucleic Acids Res· January 2022

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An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group.
Benjamin J Place, Elin M Ulrich, Jonathan K Challis, Alex Chao, Bowen Du, Ryan Renslow

Anal Chem· December 2021

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Mass Spectrometry Adduct Calculator.
Madison R Blumer, Christine H Chang, Evangelina Brayfindley, Jamie R Nunez, Sean M Colby, Ryan S Renslow

J Chem Inf Model· December 2021

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Correction to ": Streamlining Expansive Chemical Space Evaluation of Molecular Sets".
Jamie R Nuñez, Monee Mcgrady, Yasemin Yesiltepe, Ryan S Renslow, Thomas O Metz

J Chem Inf Model· May 2021

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Quantum Chemistry Calculations for Metabolomics.
Ricardo M Borges, Sean M Colby, Susanta Das, Arthur S Edison, Oliver Fiehn, Ryan S Renslow

Chem Rev· May 2021

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Exploring the Impacts of Conformer Selection Methods on Ion Mobility Collision Cross Section Predictions.
Felicity F Nielson, Sean M Colby, Dennis G Thomas, Ryan S Renslow, Thomas O Metz

Anal Chem· March 2021

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A Practical Guide to Metabolomics Software Development.
Hui-Yin Chang, Sean M Colby, Xiuxia Du, Javier D Gomez, Maximilian J Helf, Ryan S Renslow

Anal Chem· February 2021

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Application and assessment of deep learning for the generation of potential NMDA receptor antagonists.
Katherine J Schultz, Sean M Colby, Yasemin Yesiltepe, Jamie R Nuñez, Monee Y McGrady, Ryan S Renslow

Phys Chem Chem Phys· January 2021

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Ligand- and Structure-Based Analysis of Deep Learning-Generated Potential α2a Adrenoceptor Agonists.
Katherine J Schultz, Sean M Colby, Vivian S Lin, Aaron T Wright, Ryan S Renslow

J Chem Inf Model· January 2021

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: Streamlining Expansive Chemical Space Evaluation of Molecular Sets.
Jamie R Nuñez, Monee Mcgrady, Yasemin Yesiltepe, Ryan S Renslow, Thomas O Metz

J Chem Inf Model· December 2020

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Nitrogen Source Governs Community Carbon Metabolism in a Model Hypersaline Benthic Phototrophic Biofilm.
Christopher R Anderton, Jennifer M Mobberley, Jessica K Cole, Jamie R Nunez, Robert Starke, Ryan S Renslow

mSystems· June 2020

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Deep Learning to Generate Chemical Property Libraries and Candidate Molecules for Small Molecule Identification in Complex Samples.
Sean M Colby, Jamie R Nuñez, Nathan O Hodas, Courtney D Corley, Ryan R Renslow

Anal Chem· January 2020

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Evaluation of Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples.
Jamie R Nuñez, Sean M Colby, Dennis G Thomas, Malak M Tfaily, Nikola Tolic, Ryan S Renslow

J Chem Inf Model· September 2019

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SLIM Ultrahigh Resolution Ion Mobility Spectrometry Separations of Isotopologues and Isotopomers Reveal Mobility Shifts due to Mass Distribution Changes.
Roza Wojcik, Gabe Nagy, Isaac K Attah, Ian K Webb, Sandilya V B Garimella, Ryan S Renslow

Anal Chem· September 2019

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ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries.
Sean M Colby, Dennis G Thomas, Jamie R Nuñez, Douglas J Baxter, Kurt R Glaesemann, Ryan S Renslow

Anal Chem· April 2019

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New mass spectrometry technologies contributing towards comprehensive and high throughput omics analyses of single cells.
Sneha P Couvillion, Ying Zhu, Gabe Nagy, Joshua N Adkins, Charles Ansong, Ryan S Renslow

Analyst· January 2019

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Efficient discrimination of natural stereoisomers of chicoric acid, an HIV-1 integrase inhibitor.
Ofentse Nobela, Ryan S Renslow, Dennis G Thomas, Sean M Colby, Sanyasi Sitha

J Photochem Photobiol B· December 2018

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Improving network inference algorithms using resampling methods.
Sean M Colby, Ryan S McClure, Christopher C Overall, Ryan S Renslow, Jason E McDermott

BMC Bioinformatics· October 2018

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An automated framework for NMR chemical shift calculations of small organic molecules.
Yasemin Yesiltepe, Jamie R Nuñez, Sean M Colby, Dennis G Thomas, Mark I Borkum, Ryan S Renslow

J Cheminform· October 2018

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