Dehabadi, M. H., Caflisch, A., Ilie, I. M., & Firouzi, R. (2022). Interactions of curcumin’s degradation products with the Aβ dimer: a computational study. The Journal of Physical Chemistry B, 126(39), 7627-7637. https://doi.org/10.1021/acs.jpcb.2c05846 (Original work published)

Attanasio, F., Convertino, M., Magno, A., Caflisch, A., Corazza, A., Haridas, H., … Rizzarelli, E. (2013). Carnosine inhibits Aβ42 aggregation by perturbing the H-bond network in and around the central hydrophobic cluster. ChemBioChem, 14(5), 583-592. https://doi.org/10.1002/cbic.201200704 (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)

Convertino, M., Vitalis, A., & Caflisch, A. (2011). Disordered binding of small molecules to Aβ(12-28). The Journal of Biological Chemistry, 286(48), 41578-41588. https://doi.org/10.1074/jbc.M111.285957 (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)

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)

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)

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)

Gorfe, A. A., Pellarin, R., & Caflisch, A. (2004). Membrane localization and flexibility of a lipidated ras peptide studied by molecular dynamics simulations. Journal of the American Chemical Society, 126(46), 15277-15286. https://doi.org/10.1021/ja046607n (Original work published)