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)

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)

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)

Zhao, H., Gartenmann, L., Dong, J., Spiliotopoulos, D., & Caflisch, A. (2014). Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorganic & Medicinal Chemistry Letters, 24(11), 2493-2496. https://doi.org/10.1016/j.bmcl.2014.04.017 (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)

Frydman-Marom, A., Convertino, M., Pellarin, R., Lampel, A., Shaltiel-Karyo, R., Segal, D., … Gazit, E. (2011). Structural basis for inhibiting β-amyloid oligomerization by a non-coded β-breaker-substituted endomorphin analogue. ACS Chemical Biology, 6(11), 1265-1276. https://doi.org/10.1021/cb200103h (Original work published)

Seeber, M., Felline, A., Raimondi, F., Muff, S., Friedman, R., Rao, F., … Fanelli, F. (2011). Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Journal of Computational Chemistry, 32(6), 1183-1194. https://doi.org/10.1002/jcc.21688 (Original work published)

Zhou, T., Lafleur, K., & Caflisch, A. (2010). Complementing ultrafast shape recognition with an optical isomerism descriptor. Journal of Molecular Graphics and Modelling, 29(3), 443-449. https://doi.org/10.1016/j.jmgm.2010.08.007 (Original work published 2010)

Huang, D., & Caflisch, A. (2010). Library screening by fragment-based docking. Journal of Molecular Recognition, 23(2), 183-193. https://doi.org/10.1002/jmr.981 (Original work published 2010)

Kolb, P., Kipouros, C. B., Huang, D., & Caflisch, A. (2008). Structure-based tailoring of compound libraries for high-throughput screening: Discovery of novel EphB4 kinase inhibitors. Proteins: Structure, Function, and Bioinformatics, 73(1), 11-18. https://doi.org/10.1002/prot.22028 (Original work published 2008)