Dalle Vedove, A., Spiliotopoulos, D., D’Agostino, V. G., Marchand, J.-R., Unzue, A., Nevado, C., … Caflisch, A. (2018). Structural analysis of small molecule binding to the BAZ2A and BAZ2B bromodomains. ChemMedChem, 13(14), 1479-1487. https://doi.org/10.1002/cmdc.201800234 (Original work published)

Bacci, M., Langini, C., Vymětal, J., Caflisch, A., & Vitalis, A. (2017). Focused conformational sampling in proteins. Journal of Chemical Physics, 147(19), 195102. https://doi.org/10.1063/1.4996879 (Original work published)

Marchand, J.-R., Dalle Vedove, A., Lolli, G., & Caflisch, A. (2017). Discovery of inhibitors of four bromodomains by fragment-anchored ligand docking. Journal of Chemical Information and Modeling, 57(10), 2584-2597. https://doi.org/10.1021/acs.jcim.7b00336 (Original work published)

Spiliotopoulos, D., Zhu, J., Wamhoff, E.-C., Deerain, N., Marchand, J.-R., Aretz, J., … Caflisch, A. (2017). Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters, 27(11), 2472-2478. https://doi.org/10.1016/j.bmcl.2017.04.001 (Original work published)

Ghayor, C., Gjoksi, B., Dong, J., Siegenthaler, B., Caflisch, A., & Weber, F. E. (2017). N,N dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Scientific Reports, 7, 42108. https://doi.org/10.1038/srep42108 (Original work published)

Marchand, J.-R., & Caflisch, A. (2015). Binding mode of acetylated histones to bromodomains: Variations on a common motif. ChemMedChem, 10(8), 1327-1333. https://doi.org/10.1002/cmdc.201500141 (Original work published 2015)

Unzue, A., Xu, M., Dong, J., Wiedmer, L., Spiliotopoulos, D., Caflisch, A., & Nevado, C. (2016). Fragment-based design of selective nanomolar ligands of the CREBBP bromodomain. Journal of Medicinal Chemistry, 59(4), 1350-1356. https://doi.org/10.1021/acs.jmedchem.5b00172 (Original work published)

Zhao, H., & Caflisch, A. (2015). Molecular dynamics in drug design. European Journal of Medicinal Chemistry, 91, 4-14. https://doi.org/http://dx.doi.org/10.1016/j.ejmech.2014.08.004

Magno, A., Steiner, S., & Caflisch, A. (2013). Mechanism and kinetics of acetyl-lysine binding to bromodomains. Journal of Chemical Theory and Computation, 9(9), 4225-4232. https://doi.org/10.1021/ct400361k