Fu, B., Sahakyan, A. B., Camilloni, C., Tartaglia, G. G., Paci, E., Caflisch, A., … Cavalli, A. (2014). ALMOST: An all atom molecular simulation toolkit for protein structure determination. Journal of Computational Chemistry, 35(14), 1101-1105. https://doi.org/10.1002/jcc.23588 (Original work published)

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)

Vitalis, A., & Caflisch, A. (2010). Micelle-like architecture of the monomer ensemble of Alzheimer’s amyloid-β peptide in aqueous solution and its implications for Aβ aggregation. Journal of Molecular Biology, 403(1), 148-165. https://doi.org/10.1016/j.jmb.2010.08.003 (Original work published)

Gorfe, A. A., & Caflisch, A. (2007). Ser170 controls the conformational multiplicity of the loop 166-175 in prion proteins: Implication for conversion and species barrier. FASEB J, 21(12), 3279-3287. https://doi.org/10.1096/fj.07-8292com (Original work published 2007)

Gorfe, A. A., Caflisch, A., & Jelesarov, I. (2004). The role of flexibility and hydration on the sequence-specific DNA recognition by the Tn916 integrase protein: A molecular dynamics analysis. Journal of Molecular Recognition, 17(2), 120-131. https://doi.org/10.1002/jmr.658 (Original work published 2004)

Gorfe, A. A., Pellarin, R., & Caflisch, A. (2004). Membrane localization and flexibility of a lipidated ras peptide studied by molecular dynamics simulations. Journal of the American Chemical Society, 126(46), 15277-15286. https://doi.org/10.1021/ja046607n (Original work published)

Ferrara, P., & Caflisch, A. (2001). Native topology or specific interactions: What is more important for protein folding? Journal of Molecular Biology, 306(4), 837-850. https://doi.org/10.1006/jmbi.2000.4400 (Original work published)