Alfarano, P., Varadamsetty, G., Ewald, C., Parmeggiani, F., Pellarin, R., Zerbe, O., … Caflisch, A. (2012). Optimization of designed armadillo repeat proteins by molecular dynamics simulations and NMR spectroscopy. Protein Science, 21(9), 1298-1314. https://doi.org/10.1002/pro.2117 (Original work published 2012)

Exner, V., Alexandre, C., Rosenfeldt, G., Alfarano, P., Nater, M., Caflisch, A., … Hennig, L. (2010). A gain-of-function mutation of Arabidopsis cryptochrome1 promotes flowering. Plant Physiology, 154(4), 1633-1645. https://doi.org/10.1104/pp.110.160895 (Original work published 2010)

Muff, S., & Caflisch, A. (2008). Kinetic analysis of molecular dynamics simulations reveals changes in the denatured state and switch of folding pathways upon single-point mutation of a beta-sheet miniprotein. Proteins: Structure, Function, and Bioinformatics, 70(4), 1185-1195. https://doi.org/10.1002/prot.21565 (Original work published 2008)

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)

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)

Curcio, R., Caflisch, A., & Paci, E. (2005). Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody-hapten complex. Protein Science, 14(10), 2499-2514. https://doi.org/10.1110/ps.041280705 (Original work published 2005)

Settanni, G., Rao, F., & Caflisch, A. (2005). Phi-value analysis by molecular dynamics simulations of reversible folding. Proceedings of the National Academy of Sciences of the United States of America, 102(3), 628-633. https://doi.org/10.1073/pnas.0406754102 (Original work published)

Gsponer, J., Ferrara, P., & Caflisch, A. (2001). Flexibility of the murine prion protein and its Asp178Asn mutant investigated by molecular dynamics simulations. Journal of Molecular Graphics and Modelling, 20(2), 169-182. https://doi.org/doi:10.1016/S1093-3263(01)00117-6 (Original work published 2001)