Xiang, Y., Zhai, G., Li, Y., Wang, M., Chen, X., Wang, R., … Chen, L. (2023). Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay. International Journal of Biological Macromolecules, 226, 780-792. https://doi.org/10.1016/j.ijbiomac.2022.12.057 (Original work published)

Pohl, M. O., Busnadiego, I., Marrafino, F., Wiedmer, L., Hunziker, A., Fernbach, S., … Stertz, S. (2021). Combined computational and cellular screening identifies synergistic inhibition of SARS-CoV-2 by lenvatinib and remdesivir. Journal of General Virology, 102(7). https://doi.org/10.1099/jgv.0.001625 (Original work published)

Spiliotopoulos, D., Wamhoff, E.-C., Lolli, G., Rademacher, C., & Caflisch, A. (2017). Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry, 139, 564-572. https://doi.org/10.1016/j.ejmech.2017.08.028 (Original work published)

Zhu, J., & Caflisch, A. (2016). Twenty crystal structures of bromodomain and PHD finger containing protein 1 (BRPF1)/ligand complexes reveal conserved binding motifs and rare interactions. Journal of Medicinal Chemistry, 59(11), 5555-5561. https://doi.org/10.1021/acs.jmedchem.6b00215 (Original work published)

Unzue, A., Zhao, H., Lolli, G., Dong, J., Zhu, J., Zechner, M., … Nevado, C. (2016). The "gatekeeper" residue influences the mode of binding of acetyl indoles to bromodomains. Journal of Medicinal Chemistry, 59(7), 3087-3097. https://doi.org/10.1021/acs.jmedchem.5b01757 (Original work published)

Zhao, H., & Caflisch, A. (2014). Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk. Bioorganic & Medicinal Chemistry Letters, 24(6), 1523-1527. https://doi.org/10.1016/j.bmcl.2014.01.083 (Original work published)

Zhao, H., & Caflisch, A. (2013). Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics. Bioorganic & Medicinal Chemistry Letters, 23(20), 5721-5726. https://doi.org/10.1016/j.bmcl.2013.08.009 (Original work published)

Lafleur, K., Dong, J., Huang, D., Caflisch, A., & Nevado, C. (2013). Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. Journal of Medicinal Chemistry, 56(1), 84-96. https://doi.org/10.1021/jm301187e (Original work published)

Zhao, H., Huang, D., & Caflisch, A. (2012). Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics. ChemMedChem, 7(11), 1983-1990. https://doi.org/10.1002/cmdc.201200331 (Original work published 2012)

Unzue, A., Dong, J., Lafleur, K., Zhao, H., Frugier, E., Caflisch, A., & Nevado, C. (2014). Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: Structure-based design, synthesis, and in vivo validation. Journal of Medicinal Chemistry, 57(15), 6834-6844. https://doi.org/10.1021/jm5009242 (Original work published)