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Lolli, G., & Caflisch, A. (2016). High-throughput fragment docking into the BAZ2B bromodomain: Efficient in silico screening for X-Ray crystallography. ACS Chemical Biology, 11(3), 800-807. https://doi.org/10.1021/acschembio.5b00914 (Original work published)

Zhao, H., Gartenmann, L., Dong, J., Spiliotopoulos, D., & Caflisch, A. (2014). Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorganic & Medicinal Chemistry Letters, 24(11), 2493-2496. https://doi.org/10.1016/j.bmcl.2014.04.017 (Original work published)

Zhao, H., & Caflisch, A. (2013). Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics. Bioorganic & Medicinal Chemistry Letters, 23(20), 5721-5726. https://doi.org/10.1016/j.bmcl.2013.08.009 (Original work published)

Lafleur, K., Dong, J., Huang, D., Caflisch, A., & Nevado, C. (2013). Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. Journal of Medicinal Chemistry, 56(1), 84-96. https://doi.org/10.1021/jm301187e (Original work published)

Zhou, T., & Caflisch, A. (2010). High-throughput virtual screening using quantum mechanical probes: Discovery of selective kinase inhibitors. ChemMedChem, 5(7), 1007-1014. https://doi.org/10.1002/cmdc.201000085 (Original work published)

Huang, D., & Caflisch, A. (2010). Library screening by fragment-based docking. Journal of Molecular Recognition, 23(2), 183-193. https://doi.org/10.1002/jmr.981 (Original work published 2010)

Zhou, T., Huang, D., & Caflisch, A. (2010). Quantum mechanical methods for drug design. Current Topics in Medicinal Chemistry, 10(1), 33-45. https://doi.org/10.2174/156802610790232242 (Original work published 2010)