Langini, C., Caflisch, A., & Vitalis, A. (2017). The ATAD2 bromodomain binds different acetylation marks on the histone H4 in similar fuzzy complexes. The Journal of Biological Chemistry, 292(40), 16734-16745. https://doi.org/10.1074/jbc.M117.786350 (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)

Zhou, T., Huang, D., & Caflisch, A. (2008). Is quantum mechanics necessary for predicting binding free energy? Journal of Medicinal Chemistry, 51(14), 4280-4288. https://doi.org/10.1021/jm800242q (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)

Kolb, P., Huang, D., Dey, F., & Caflisch, A. (2008). Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model. Journal of Medicinal Chemistry, 51(5), 1179-1188. https://doi.org/10.1021/jm070654j (Original work published)

Huang, D., Lüthi, U., Kolb, P., Edler, K., Cecchini, M., Audetat, S., … Caflisch, A. (2005). Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. Journal of Medicinal Chemistry, 48(16), 5108-5111. https://doi.org/10.1021/jm050499d (Original work published)

Budin, N., Ahmed, S., Majeux, N., & Caflisch, A. (2001). An evolutionary approach for structure-based design of natural and non-natural peptidic ligands. Combinatorial Chemistry & High Throughput Screening, 4(8), 661-673. https://doi.org/10.2174/1386207013330652 (Original work published 2001)

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)

Paci, E., Caflisch, A., Plückthun, A., & Karplus, M. (2001). Forces and energetics of hapten-antibody dissociation: A biased molecular dynamics simulation study. Journal of Molecular Biology, 314(3), 589-605. https://doi.org/10.1006/jmbi.2001.5103 (Original work published)

Majeux, N., Scarsi, M., Apostolakis, J., Ehrhardt, C., & Caflisch, A. (1999). Exhaustive docking of molecular fragments with electrostatic solvation. Proteins: Structure, Function, and Bioinformatics, 37(1), 88-105. (Original work published)