Bedi, R. K., & Caflisch, A. (2026). A DNA-Based Binding Assay for the m6A-RNA Reader Proteins. Chembiochem, 27(6), e202500897. https://doi.org/10.1002/cbic.202500897 (Original work published)

Wiedmer, L., Schärer, C., Spiliotopoulos, D., Hürzeler, M., Śledź, P., & Caflisch, A. (2019). Ligand retargeting by binding site analogy. European Journal of Medicinal Chemistry, 175, 107-113. https://doi.org/10.1016/j.ejmech.2019.04.037 (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)

Lolli, G., & Caflisch, A. (2016). High-throughput fragment docking into the BAZ2B bromodomain: Efficient in silico screening for X-Ray crystallography. ACS Chemical Biology, 11(3), 800-807. https://doi.org/10.1021/acschembio.5b00914 (Original work published)

Xu, M., Caflisch, A., & Hamm, P. (2016). Protein structural memory influences ligand binding mode(s) and unbinding rates. Journal of Chemical Theory and Computation, 12(3), 1393-1399. https://doi.org/10.1021/acs.jctc.5b01052 (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)

Huang, D., Rossini, E., Steiner, S., & Caflisch, A. (2014). Structured water molecules in the binding site of bromodomains can be displaced by cosolvent. ChemMedChem, 9(3), 573-579. https://doi.org/10.1002/cmdc.201300156 (Original work published 2014)

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)

Steiner, S., Magno, A., Huang, D., & Caflisch, A. (2013). Does bromodomain flexibility influence histone recognition? FEBS Letters, 587(14), 2158-2163. https://doi.org/10.1016/j.febslet.2013.05.032 (Original work published)