Ilie, I. M., Ehrhardt, C., Caflisch, A., & Weitz-Schmidt, G. (2023). Decrypting Integrins by mixed-solvent molecular dynamics simulations. Journal of Chemical Information and Modeling, 63, 3878–3891. https://doi.org/10.1021/acs.jcim.3c00480 (Original work published)

Majeux, N., Scarsi, M., Apostolakis, J., Ehrhardt, C., & Caflisch, A. (1999). Exhaustive docking of molecular fragments with electrostatic solvation. Proteins: Structure, Function, and Bioinformatics, 37(1), 88-105. (Original work published)

Caflisch, A., Wälchli, R., & Ehrhardt, C. (1998). Computer-aided design of thrombin inhibitors. News in Physiological Science, 13, 182-189. (Original work published 1998)

Caflisch, A., & Ehrhardt, C. (1997). Structure-based combinatorial ligand design. In P. Veerapandian (Ed.), Structure-Based Drug Design (pp. 541-558). New York: Marcel Dekker, Inc.