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Journal of the American Society for Mass Spectrometry|August 28, 2025
Simulating Collision-Induced Dissociation Tandem Mass Spectrometry (CID-MS/MS) for the Blood Exposome Database Using Quantum Chemistry Methods - A Pilot StudyJesi Lee, Dinesh BarupalBiorxiv : the Preprint Server for Biology|November 26, 2025
Simulating Tandem Mass Spectra for Small Molecules using a General-Purpose Large-Language ModelTuan Nguyen, Dinesh BarupalJournal of Cheminformatics|March 20, 2026
Predicting toxicity and bioactivity of the chemical exposome: a case study for the blood exposome databaseAnkita Dutta, Dinesh BarupalBiorxiv : the Preprint Server for Biology|September 18, 2025
Expanding the chemical exposome using in-silico transformation analysis - an example using insecticidesMannivannan Jothiramajayam, Dinesh BarupalBiorxiv : the Preprint Server for Biology|November 26, 2025
Predicting Toxicity and Bioactivity of the Chemical Exposome: A Case Study for the Blood Exposome DatabaseAnkita Dutta, Dinesh BarupalBiorxiv : the Preprint Server for Biology|April 10, 2023
IDSL.GOA: Gene Ontology Analysis for Interpreting Metabolomic datasetsPriyanka Mahajan, Oliver Fiehn, Dinesh BarupalScientific Reports|January 14, 2024
IDSL.GOA: gene ontology analysis for interpreting metabolomic datasetsPriyanka Mahajan, Oliver Fiehn, Dinesh BarupalChemosphere|December 18, 2021
Comparison of untargeted and targeted perfluoroalkyl acids measured in adolescent girlsLauren M Petrick, Mary S Wolff, Dinesh Barupal, et al.Journal of Chemical Information and Modeling|September 27, 2024
Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular DynamicsJesi Lee, Dean Joseph Tantillo, Lee-Ping Wang, et al.Journal of Chemical Information and Modeling|September 27, 2024
Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry ModelingJesi Lee, Dean Joseph Tantillo, Lee-Ping Wang, et al.Pageof 3