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)

Meyer, P. A., Socias, S., Key, J., Ransey, E., Tjon, E. C., Buschiazzo, A., … Sliz, P. (2016). Data publication with the structural biology data grid supports live analysis. Nature Communications, 7, 10882. https://doi.org/10.1038/ncomms10882 (Original work published)

Marchand, J.-R., Lolli, G., & Caflisch, A. (2016). Derivatives of 3-amino-2-methylpyridine as BAZ2B bromodomain ligands: In silico discovery and in crystallo validation. Journal of Medicinal Chemistry, 59(21), 9919-9927. https://doi.org/10.1021/acs.jmedchem.6b01258 (Original work published)

Reichen, C., Hansen, S., Forzani, C., Honegger, A., Fleishman, S. J., Zhou, T., … Plückthun, A. (2016). Computationally designed armadillo repeat proteins for modular peptide recognition. Journal of Molecular Biology, 428(22), 4467-4489. https://doi.org/10.1016/j.jmb.2016.09.012 (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)

Pochorovski, I., Knehans, T., Nettels, D., Müller, A. M., Schweizer, W. B., Caflisch, A., … Diederich, F. (2014). Experimental and computational study of BODIPY dye-labeled cavitand dynamics. Journal of the American Chemical Society, 136(6), 2441-2449. https://doi.org/10.1021/ja4104292 (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)

Huang, D., & Caflisch, A. (2011). Small molecule binding to proteins: Affinity and binding/unbinding dynamics from atomistic simulations. ChemMedChem, 6(9), 1578-80. https://doi.org/10.1002/cmdc.201100237 (Original work published)