Additional Campus Affiliations
Professor, Chemical and Biomolecular Engineering
James W. Westwater Scholar, Chemical and Biomolecular Engineering
Affiliate, Chemistry
Professor, Bioengineering
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, Article 111434. Advance online publication. https://doi.org/10.1016/j.jbc.2026.111434
Barrett, S. E., Yin, S., Jordan, P., Brunson, J. K., Gordon-Nunez, J., Costa Machado da Cruz, G., Rosario, C., Okada, B. K., Anderson, K., Pires, T. A., Wang, R., Shukla, D., Burk, M. J., & Mitchell, D. A. (2025). Substrate interactions guide cyclase engineering and lasso peptide diversification. Nature chemical biology, 21(3), 412-419. https://doi.org/10.1038/s41589-024-01727-w
Chan, M. C., Alfawaz, Y., Paul, A., & Shukla, D. (2025). Molecular insights into the elevator-type mechanism of the cyanobacterial bicarbonate transporter BicA. Biophysical journal, 124(2), 379-392. https://doi.org/10.1016/j.bpj.2024.12.013