Additional Campus Affiliations
Associate Professor, Chemical and Biomolecular Engineering
Associate Professor, Center for Digital Agriculture, National Center for Supercomputing Applications (NCSA)
Associate Professor, Beckman Institute for Advanced Science and Technology
Associate Professor, National Center for Supercomputing Applications (NCSA)
Associate Professor, Bioengineering
Affiliate, Carl R. Woese Institute for Genomic Biology
Recent Publications
Lindley, S. E., Lu, Y., & Shukla, D. (2024). The Experimentalist’s Guide to Machine Learning for Small Molecule Design. ACS Applied Bio Materials, 7(2), 657-684. https://doi.org/10.1021/acsabm.3c00054
Yin, S., Mi, X., & Shukla, D. (2024). Leveraging machine learning models for peptide–protein interaction prediction. RSC Chemical Biology. Advance online publication. https://doi.org/10.1039/D3CB00208J
Bansal, P. D., Dutta, S., & Shukla, D. (2023). Activation mechanism of the human Smoothened receptor. Biophysical journal, 122(7), 1400-1413. https://doi.org/10.1016/j.bpj.2023.03.007
Chan, M. C., Chan, K. K., Procko, E., & Shukla, D. (2023). Machine Learning Guided Design of High-Affinity ACE2 Decoys for SARS-CoV-2 Neutralization. Journal of Physical Chemistry B, 127(9), 1995-2001. https://doi.org/10.1021/acs.jpcb.3c00469
Chan, M. C., & Shukla, D. (2023). The Effects of N-Linked Glycosylation on SLC6 Transporters. Journal of Chemical Information and Modeling, 63(9), 2748-2758. https://doi.org/10.1021/acs.jcim.2c00940