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
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
Cui, H., Su, Y., Dean, T. J., Yu, T., Zhang, Z., Peng, J., Shukla, D., & Zhao, H. (2025). Enzyme specificity prediction using cross attention graph neural networks. Nature, 647(8090), 639-647. https://doi.org/10.1038/s41586-025-09697-2
Dutta, S., & Shukla, D. (2025). Characterization of binding kinetics and intracellular signaling of new psychoactive substances targeting cannabinoid receptor using transition-based reweighting method. eLife, 13. https://doi.org/10.7554/eLife.98798.3