Gorfe, A. A., Ferrara, P., Caflisch, A., Marti, D. N., Bosshard, H. R., & Jelesarov, I. (2002). Calculation of protein ionization equilibria with conformational sampling: pK_a of a model leucine zipper, GCN4 and barnase. Proteins: Structure, Function, and Bioinformatics, 46(1), 41-60. https://doi.org/10.1002/prot.10027 (Original work published)

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)