Vargas-Rosales, P. A., Giangreco, G., & Caflisch, A. (2025). Disrupting Amyloid Filaments of Tau by Means of Electric Fields. The Journal of Physical Chemistry B, 129(36), 9124-9137. https://doi.org/10.1021/acs.jpcb.5c04393 (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)

Huang, D., Rossini, E., Steiner, S., & Caflisch, A. (2014). Structured water molecules in the binding site of bromodomains can be displaced by cosolvent. ChemMedChem, 9(3), 573-579. https://doi.org/10.1002/cmdc.201300156 (Original work published 2014)

Buchli, B., Waldauer, S. A., Walser, R., Donten, M. L., Pfister, R., Blöchliger, N., … Hamm, P. (2013). Kinetic response of a photoperturbed allosteric protein. Proceedings of the National Academy of Sciences of the United States of America, 110(29), 11725-11730. https://doi.org/10.1073/pnas.1306323110 (Original work published)

Rennebaum, S., & Caflisch, A. (2012). Inhibition of interdomain motion in g-actin by the natural product latrunculin: A molecular dynamics study. Proteins: Structure, Function, and Bioinformatics, 80(8), 1998-2008. https://doi.org/10.1002/prot.24088 (Original work published 2012)

Huang, D., & Caflisch, A. (2011). The free energy landscape of small molecule unbinding. PLoS Computational Biology, 7(2), e1002002. https://doi.org/10.1371/journal.pcbi.1002002 (Original work published 2011)

Ekonomiuk, D., & Caflisch, A. (2009). Activation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanism. Protein Science, 18(5), 1003-1111. https://doi.org/10.1002/pro.110 (Original work published 2009)

Friedman, R., & Caflisch, A. (2007). The protonation state of the catalytic aspartates in plasmepsin II. FEBS Letters, 581(21), 4120-4124. https://doi.org/10.1016/j.febslet.2007.07.033 (Original work published)

Gorfe, A. A., & Caflisch, A. (2005). Functional plasticity in the substrate binding site of beta-secretase. Structure, 13(10), 1487-1498. https://doi.org/10.1016/j.str.2005.06.015 (Original work published 2005)

Böckmann, R. A., & Caflisch, A. (2005). Spontaneous formation of detergent micelles around the outer membrane protein OmpX. Biophysical Journal, 88(5), 3191-3204. https://doi.org/10.1529/biophysj.105.060426 (Original work published 2005)