Pochorovski, I., Knehans, T., Nettels, D., Müller, A. M., Schweizer, W. B., Caflisch, A., … Diederich, F. (2014). Experimental and computational study of BODIPY dye-labeled cavitand dynamics. Journal of the American Chemical Society, 136(6), 2441-2449. https://doi.org/10.1021/ja4104292 (Original work published)
Muff, S., & Caflisch, A. (2009). ETNA: Equilibrium transitions network and Arrhenius equation for extracting folding kinetics from REMD simulations. The Journal of Physical Chemistry B, 113(10), 3218-3226. https://doi.org/10.1021/jp807261h (Original work published)