Additional Campus Affiliations
Professor, Chemical and Biomolecular Engineering
James W. Westwater Scholar, Chemical and Biomolecular Engineering
Professor, Bioengineering
Professor, Chemistry
Professor, National Center for Supercomputing Applications (NCSA)
Professor, Center for Digital Agriculture, National Center for Supercomputing Applications (NCSA)
Affiliate, Carl R. Woese Institute for Genomic Biology
Recent Publications
Clark, J. D., Dean, T. J., & Shukla, D. (2026). Learning physical interactions to compose biological large language models. Communications Chemistry, 9(1), Article 81. Advance online publication. https://doi.org/10.1038/s42004-025-01883-7
Dean, T. J., Feng, J., & Shukla, D. (2026). How Minor Sequence Changes Enable Mechanistic Diversity in MFS Transporters? An Atomic-Level Rationale for Symport Emergence in NarU. Journal of Chemical Information and Modeling, 66(4), 2358-2368. https://doi.org/10.1021/acs.jcim.5c02971
Dutta, S., Zhao, L., & Shukla, D. (2026). Dynamic Mechanism for Subtype Selectivity of Endocannabinoids. Journal of Biological Chemistry, 302(6), Article 111434. https://doi.org/10.1016/j.jbc.2026.111434
Jin, Y.-S., Kuanyshev, N., Li, J.-J., Deewan, A., Rao, C. V., Pannerselvam, B., Shukla, D., & Jagtap, S. (2026). Plant sweet and yeast MSF transporter capable of transporting different sugars simultaneously. (U.S. Patent No. 12686846).
Kleiman, D. E., Feng, J., Xue, Z., & Shukla, D. (2026). ESMDynamic: Fast and accurate prediction of protein dynamic contact maps from single sequences. Nature communications, 17(1), Article 9623. https://doi.org/10.1038/s41467-026-76361-2