Blöchliger, N., Caflisch, A., & Vitalis, A. (2015). Weighted distance functions improve analysis of high-dimensional data: Application to molecular dynamics simulations. Journal of Chemical Theory and Computation, 11(11), 5481-5492. https://doi.org/10.1021/acs.jctc.5b00618 (Original work published)

Blöchliger, N., Vitalis, A., & Caflisch, A. (2014). High-resolution visualisation of the states and pathways sampled in molecular dynamics simulations. Scientific Reports, 4, 6264. https://doi.org/10.1038/srep06264

Watson, R. P., Christen, M. T., Ewald, C., Bumbak, F., Reichen, C., Mihajlovic, M., … Zerbe, O. (2014). Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure. Structure, 22(7), 985-995. https://doi.org/10.1016/j.str.2014.05.002 (Original work published)

Kalgin, I. V., Caflisch, A., Chekmarev, S. F., & Karplus, M. (2013). New insights into the folding of a β-sheet miniprotein in a reduced space of collective hydrogen bond variables: Application to a hydrodynamic analysis of the folding flow. The Journal of Physical Chemistry B, 117(20), 6092-6105. https://doi.org/10.1021/jp401742y (Original work published)

Caflisch, A., & Hamm, P. (2012). Complexity in protein folding: Simulation meets experiment. Current Physical Chemistry, 2(1), 4-11. https://doi.org/10.2174/1877946811202010004

Scalco, R., & Caflisch, A. (2012). Ultrametricity in protein folding dynamics. Journal of Chemical Theory and Computation, 8(5), 1580-1588. https://doi.org/10.1021/ct3000052

Zheng, W., Qi, B., Rohrdanz, M. A., Caflisch, A., Dinner, A. R., & Clementi, C. (2011). Delineation of folding pathways of a β-sheet miniprotein. The Journal of Physical Chemistry B, 115(44), 13065-13074. https://doi.org/10.1021/jp2076935 (Original work published)

Scalco, R., & Caflisch, A. (2011). Equilibrium distribution from distributed computing (simulations of protein folding). The Journal of Physical Chemistry B, 115(19), 6358-6365. https://doi.org/10.1021/jp2014918 (Original work published)

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)

Schuetz, P., Wuttke, R., Schuler, B., & Caflisch, A. (2010). Free energy surfaces from single-distance information. The Journal of Physical Chemistry B, 114(46), 15227-15235. https://doi.org/10.1021/jp1053698 (Original work published)