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Steiner, S., & Caflisch, A. (2012). Peptide binding to the PDZ3 domain by conformational selection. Proteins: Structure, Function, and Bioinformatics, 80(11), 2562-2572. https://doi.org/10.1002/prot.24137 (Original work published 2012)

Alfarano, P., Varadamsetty, G., Ewald, C., Parmeggiani, F., Pellarin, R., Zerbe, O., … Caflisch, A. (2012). Optimization of designed armadillo repeat proteins by molecular dynamics simulations and NMR spectroscopy. Protein Science, 21(9), 1298-1314. https://doi.org/10.1002/pro.2117 (Original work published 2012)

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)

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)

Seeber, M., Felline, A., Raimondi, F., Muff, S., Friedman, R., Rao, F., … Fanelli, F. (2011). Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces. Journal of Computational Chemistry, 32(6), 1183-1194. https://doi.org/10.1002/jcc.21688 (Original work published)

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)

Pellarin, R., Schuetz, P., Guarnera, E., & Caflisch, A. (2010). Amyloid fibril polymorphism is under kinetic control. Journal of the American Chemical Society, 132(42), 14960-14970. https://doi.org/10.1021/ja106044u (Original work published)