Zhou, T., Georgeon, S., Moser, R., Moore, D. J., Caflisch, A., & Hantschel, O. (2014). Specificity and mechanism-of-action of the JAK2 tyrosine kinase inhibitors ruxolitinib and SAR302503 (TG101348). Leukemia, 28(2), 404-407. https://doi.org/10.1038/leu.2013.205 (Original work published 2014)

Lafleur, K., Huang, D., Zhou, T., Caflisch, A., & Nevado, C. (2009). Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4). Journal of Medicinal Chemistry, 52(20), 6433-6446. https://doi.org/10.1021/jm9009444 (Original work published)

Muff, S., & Caflisch, A. (2009). ETNA: Equilibrium transitions network and Arrhenius equation for extracting folding kinetics from REMD simulations. The Journal of Physical Chemistry B, 113(10), 3218-3226. https://doi.org/10.1021/jp807261h (Original work published)

Cecchini, M., Curcio, R., Pappalardo, M., Melki, R., & Caflisch, A. (2006). A molecular dynamics approach to the structural characterization of amyloid aggregation. Journal of Molecular Biology, 357(4), 1306-1321. https://doi.org/10.1016/j.jmb.2006.01.009 (Original work published)

Gorfe, A. A., Caflisch, A., & Jelesarov, I. (2004). The role of flexibility and hydration on the sequence-specific DNA recognition by the Tn916 integrase protein: A molecular dynamics analysis. Journal of Molecular Recognition, 17(2), 120-131. https://doi.org/10.1002/jmr.658 (Original work published 2004)