Professor

Additional Campus Affiliations

James W. Westwater Professor, Chemical and Biomolecular Engineering
Professor, 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

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. Advance online publication. https://doi.org/10.1038/s41586-025-09697-2

Román Santiago, A., Dutta, A., Wu, J. C., Yin, S., Lee, Y. W., Hou, C. H., Shukla, D., & Su, X. (2025). Investigating the Structure–Function Relationships of Fluorinated Interfaces for PFAS Capture and Electrochemically-Mediated Release. Advanced Functional Materials, 35(36), Article 2502317. https://doi.org/10.1002/adfm.202502317

Selvam, B., Paul, A., Yu, Y. C., Chen, L. Q., & Shukla, D. (2025). SWEET Family Transporters Act as Water-Conducting Carrier Proteins in Plants. Journal of Chemical Information and Modeling, 65(7), 3697-3705. https://doi.org/10.1021/acs.jcim.5c00110

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