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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)

Unzue, A., Lafleur, K., Zhao, H., Zhou, T., Dong, J., Kolb, P., … Nevado, C. (2016). Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. European Journal of Medicinal Chemistry, 112, 347-366. https://doi.org/10.1016/j.ejmech.2016.01.057 (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)

Scherzer-Attali, R., Convertino, M., Pellarin, R., Gazit, E., Segal, D., & Caflisch, A. (2013). Methylations of tryptophan-modified naphthoquinone affect its inhibitory potential toward Aβ aggregation. The Journal of Physical Chemistry B, 117(6), 1780-1789. https://doi.org/10.1021/jp309066p (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)

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)

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)

Zhou, T., & Caflisch, A. (2010). High-throughput virtual screening using quantum mechanical probes: Discovery of selective kinase inhibitors. ChemMedChem, 5(7), 1007-1014. https://doi.org/10.1002/cmdc.201000085 (Original work published)

Huang, D., Zhou, T., Lafleur, K., Nevado, C., & Caflisch, A. (2010). Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis. Bioinformatics, 26(2), 198-204. https://doi.org/10.1093/bioinformatics/btp650 (Original work published)