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)

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)

Haberthür, U., & Caflisch, A. (2008). FACTS: Fast analytical continuum treatment of solvation. Journal of Computational Chemistry, 29(5), 701-715. https://doi.org/10.1002/jcc.20832 (Original work published)

Interlandi, G., Wetzel, S. K., Settanni, G., Plückthun, A., & Caflisch, A. (2008). Characterization and further stabilization of designed ankyrin repeat proteins by combining molecular dynamics simulations and experiments. Journal of Molecular Biology, 375(3), 837-854. https://doi.org/10.1016/j.jmb.2007.09.042 (Original work published)

Schroeder, V., Vuissoz, J.-M., Caflisch, A., & Kohler, H. P. (2007). Factor XIII activation peptide is released into plasma upon cleavage by thrombin and shows a different structure compared to its bound form. Thrombosis and Haemostasis, 97(6), 890-898. https://doi.org/10.1160/TH06-08-0458 (Original work published 2007)

Majeux, N., Scarsi, M., & Caflisch, A. (2001). Efficient electrostatic solvation model for protein-fragment docking. Proteins: Structure, Function, and Bioinformatics, 42(2), 256-268. https://doi.org/DOI: 10.1002/1097-0134(20010201)42:2<256::AID-PROT130>3.0.CO;2-4 (Original work published)