My work uses molecular dynamics to study how mussels use specialized foot proteins (mfps) to attach to mineral surfaces. I also am developing force fields to produce better models of N-substituted glycine oligomers, peptoids, which are of interest due to their protease resistance and high stability compared to peptides.
Dueling backbones: Comparing peptoid and peptide analogues of a mussel adhesive protein
Wonderly, W. R.; Cristiani, T. R.; Cunha, K. C.; Degen, G. D.; Shea, J.-E.; Waite, J. H. Macromolecules 2020, 53 (16), 6767-6779.
Significant performance enhancement of polymer resins by bioinspired dynamic bonding
Seo, S.; Lee, D. W.; Ahn, J. S.; Cunha, K.; Ju, S. W.; Shin, E.; Kim, B.-S.; Levine, Z. A.; Lins, R. D.; Israelachvili, J. N.; Waite, J. H.; Shea, J.-E.; Ahn, B. K. Adv. Mater. 2017, 29 1703026.