Müller, C. S., Knehans, T., Davydov, D. R., Bounds, P. L., von Mandach, U., Halpert, J. R., … Koppenol, W. H. (2016). Correction to "Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations". Biochemistry, 55(39), 5647. https://doi.org/10.1021/acs.biochem.6b00904 (Original work published)

Huang, D., & Caflisch, A. (2015). The roles of the conserved tyrosine in the β2-α2 loop of the prion protein. Prion, 9(6), 412-419. https://doi.org/10.1080/19336896.2015.1115944

Müller, C. S., Knehans, T., Davydov, D. R., Bounds, P. L., von Mandach, U., Halpert, J. R., … Koppenol, W. H. (2015). Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations. Biochemistry, 54(3), 711-721. https://doi.org/10.1021/bi5011656 (Original work published)

Friedman, R., & Caflisch, A. (2014). Wild type and mutants of the HET-s(218-289) prion show different flexibility at fibrillar ends: A simulation study. Proteins: Structure, Function, and Bioinformatics, 82(3), 399-404. https://doi.org/10.1002/prot.24402 (Original work published 2014)

Exner, V., Aichinger, E., Shu, H., Wildhaber, T., Alfarano, P., Caflisch, A., … Hennig, L. (2009). The chromodomain of LIKE HETEROCHROMATIN PROTEIN 1 is essential for H3K27me3 binding and function during Arabidopsis development. PLoS One, 4(4), e5335. https://doi.org/10.1371/journal.pone.0005335 (Original work published 2009)

Paoli, B., Seeber, M., Backus, E. H. G., Ihalainen, J. A., Hamm, P., & Caflisch, A. (2009). Bulky side chains and non-native salt bridges slow down the folding of a cross-linked helical peptide: A combined molecular dynamics and time-resolved infrared spectroscopy study. The Journal of Physical Chemistry B, 113(13), 4435-4442. https://doi.org/10.1021/jp810431s (Original work published)

Benedix, A., Becker, C. M., de Groot, B. L., Caflisch, A., & Böckmann, R. A. (2009). Predicting free energy changes using structural ensembles. Nat Methods, 6(1), 3-4. https://doi.org/10.1038/nmeth0109-3 (Original work published 2009)

Gsponer, J., & Caflisch, A. (2001). Role of native topology investigated by multiple unfolding simulations of four SH3 domains. Journal of Molecular Biology, 309(1), 285-298. https://doi.org/10.1006/jmbi.2001.4552 (Original work published)

Levy, Y., Caflisch, A., Onuchic, J. N., & Wolynes, P. G. (2004). The folding and dimerization of HIV-1 protease: Evidence for a stable monomer from simulations. Journal of Molecular Biology, 340(1), 67-79. https://doi.org/10.1016/j.jmb.2004.04.028 (Original work published)