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)

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)