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Kolb, P., Kipouros, C. B., Huang, D., & Caflisch, A. (2008). Structure-based tailoring of compound libraries for high-throughput screening: Discovery of novel EphB4 kinase inhibitors. Proteins: Structure, Function, and Bioinformatics, 73(1), 11-18. https://doi.org/10.1002/prot.22028 (Original work published 2008)

Kolb, P., Huang, D., Dey, F., & Caflisch, A. (2008). Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model. Journal of Medicinal Chemistry, 51(5), 1179-1188. https://doi.org/10.1021/jm070654j (Original work published)

Kolb, P., & Caflisch, A. (2006). Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. Journal of Medicinal Chemistry, 49(25), 7384-7392. https://doi.org/10.1021/jm060838i (Original work published)

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)

Huang, D., Lüthi, U., Kolb, P., Edler, K., Cecchini, M., Audetat, S., … Caflisch, A. (2005). Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. Journal of Medicinal Chemistry, 48(16), 5108-5111. https://doi.org/10.1021/jm050499d (Original work published)

Cecchini, M., Kolb, P., Majeux, N., & Caflisch, A. (2004). Automated docking of highly flexible ligands by genetic algorithms: A critical assessment. Journal of Computational Chemistry, 25(3), 412-422. https://doi.org/10.1002/jcc.10384 (Original work published 2004)

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