Bodenreider, C., Beer, D., Keller, T. H., Sonntag, S., Wen, D., Yap, L., … Lim, S. P. (2009). A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. Analytical Biochemistry, 395(2), 195-204. https://doi.org/10.1016/j.ab.2009.08.013 (Original work published)
Ekonomiuk, D., Su, X.-C., Ozawa, K., Bodenreider, C., Lim, S. P., Otting, G., … Caflisch, A. (2009). Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. Journal of Medicinal Chemistry, 52(15), 4860-4868. https://doi.org/10.1021/jm900448m (Original work published)
Su, X.-C., Ozawa, K., Yagi, H., Lim, S. P., Wen, D., Ekonomiuk, D., … Otting, G. (2009). NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease. FEBS Journal, 276(15), 4244-4255. https://doi.org/10.1111/j.1742-4658.2009.07132.x (Original work published 2009)
Schenker, P., Alfarano, P., Kolb, P., Caflisch, A., & Baici, A. (2008). A double-headed cathepsin B inhibitor devoid of warhead. Protein Science, 17(12), 2145-2155. https://doi.org/10.1110/ps.037341.108 (Original work published 2008)
Huang, D., Lüthi, U., Kolb, P., Cecchini, M., Barberis, A., & Caflisch, A. (2006). In silico discovery of beta-secretase inhibitors. Journal of the American Chemical Society, 128(16), 5436-5443. https://doi.org/10.1021/ja0573108 (Original work published)
Caflisch, A., Schramm, H. J., & Karplus, M. (2000). Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach. Journal of Computer-Aided Molecular Design, 14(2), 161-179. https://doi.org/10.1023/A:1008146201260 (Original work published 2000)
Huang, D., & Caflisch, A. (2004). Efficient evaluation of binding free energy using continuum electrostatics solvation. Journal of Medicinal Chemistry, 47(23), 5791-5797. https://doi.org/10.1021/jm049726m (Original work published)