S Joshua Swamidass

15PUBLICATIONS
50CO-AUTHORS
Biomolecular modelling and designTheoretical quantum chemistryProteomics and metabolomicsBiologically active moleculesMedical biochemistry - inorganic elements and compounds
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Publications (15)

|Mar 17, 2023
Message Passing Neural Networks Improve Prediction of Metabolite Authenticity.

Noah R Flynn, S Joshua Swamidass

|Oct 05, 2021
Deep Learning Coordinate-Free Quantum Chemistry.

Matthew K Matlock, Max Hoffman, Na Le Dang

|May 22, 2021
Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets.

Michael D Ward, Maxwell I Zimmerman, Artur Meller

|Jan 26, 2021
Modeling the Bioactivation and Subsequent Reactivity of Drugs.

Tyler B Hughes, Noah Flynn, Na Le Dang

|Oct 21, 2020
Site-Level Bioactivity of Small-Molecules from Deep-Learned Representations of Quantum Chemistry.

Kathryn Sarullo, Matthew K Matlock, S Joshua Swamidass

|Sep 04, 2020
Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites.

Tyler B Hughes, Na Le Dang, Ayush Kumar

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Frequent Collaborators

6 joint publications

Tyler B Hughes

5 joint publications

Na Le Dang

4 joint publications

Noah R Flynn

4 joint publications

Matthew K Matlock