Published in PLoS Computational Biology, 2020
Leveraging the PDB to inform de novo small molecule binding site design
Recommended citation: Lucas JE, Kortemme T (2020) New computational protein design methods for de novo small molecule binding sites. PLOS Computational Biology 16(10): e1008178. https://doi.org/10.1371/journal.pcbi.1008178 https://doi.org/10.1371/journal.pcbi.1008178
Published in Nature Communications, 2019
Developing ligand-inducible sgRNAs to modulate Cas9 activity
Recommended citation: Kundert K, Lucas JE, Watters KE, Fellmann C, Ng AH, Heineike BM, Fitzsimmons CM, Oakes BL, Qu J, Prasad N, Rosenberg OS, Savage DF, El-Samad H, Doudna JA, Kortemme T. Controlling CRISPR-Cas9 with ligand-activated and ligand-deactivated sgRNAs. Nat Commun. 2019 May 9;10(1):2127. doi: 10.1038/s41467-019-09985-2. https://www.nature.com/articles/s41467-019-09985-2
Published in The Journal of Physical Chemistry B, 2018
Improving our ability to calculate protein-protein interface DDGs upon mutation
Recommended citation: Barlow KA, Ó Conchúir S, Thompson S, Suresh P, Lucas JE, Heinonen M, Kortemme T. Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity upon Mutation. J Phys Chem B. 2018 doi: 10.1021/acs.jpcb.7b11367. https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b11367
Published in Protein Science, 2015
Experimentally determined the contributions of active site residues toward catalysis
Recommended citation: Lucas, J.E. and Siegel, J.B. (2015), Quantitative functional characterization of conserved molecular interactions in the active site of mannitol 2‐dehydrogenase. Protein Science, 24: 936-945. doi:10.1002/pro.2669 https://onlinelibrary.wiley.com/doi/full/10.1002/pro.2669