Spiliotopoulos, D., Wamhoff, E.-C., Lolli, G., Rademacher, C., & Caflisch, A. (2017). Discovery of BAZ2A bromodomain ligands. European Journal of Medicinal Chemistry, 139, 564-572. https://doi.org/10.1016/j.ejmech.2017.08.028 (Original work published)

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)

Zhu, J., & Caflisch, A. (2016). Twenty crystal structures of bromodomain and PHD finger containing protein 1 (BRPF1)/ligand complexes reveal conserved binding motifs and rare interactions. Journal of Medicinal Chemistry, 59(11), 5555-5561. https://doi.org/10.1021/acs.jmedchem.6b00215 (Original work published)

Unzue, A., Zhao, H., Lolli, G., Dong, J., Zhu, J., Zechner, M., … Nevado, C. (2016). The "gatekeeper" residue influences the mode of binding of acetyl indoles to bromodomains. Journal of Medicinal Chemistry, 59(7), 3087-3097. https://doi.org/10.1021/acs.jmedchem.5b01757 (Original work published)

Spiliotopoulos, D., & Caflisch, A. (2016). Fragment-based in silico screening of bromodomain ligands. Drug Discovery Today. Technologies, 19, 81-90. https://doi.org/10.1016/j.ddtec.2016.06.003 (Original work published 2016)

Xu, M., Caflisch, A., & Hamm, P. (2016). Protein structural memory influences ligand binding mode(s) and unbinding rates. Journal of Chemical Theory and Computation, 12(3), 1393-1399. https://doi.org/10.1021/acs.jctc.5b01052 (Original work published)

Zhao, H., & Huang, D. (2011). Hydrogen bonding penalty upon ligand binding. PLoS One, 6(6), e19923. https://doi.org/10.1371/journal.pone.0019923 (Original work published)

Dey, F., & Caflisch, A. (2008). Fragment-based de novo ligand design by multiobjective evolutionary optimization. Journal of Chemical Information and Modeling, 48(3), 679-690. https://doi.org/10.1021/ci700424b (Original work published 2008)

Kolb, P., & Caflisch, A. (2006). Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry, 49(25), 7384-7392. https://doi.org/10.1021/jm060838i (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)