Müller, C. S., Knehans, T., Davydov, D. R., Bounds, P. L., von Mandach, U., Halpert, J. R., … Koppenol, W. H. (2016). Correction to "Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations". Biochemistry, 55(39), 5647. https://doi.org/10.1021/acs.biochem.6b00904 (Original work published)
Ben Halima, S., Mishra, S., Raja, K. M. P., Willem, M., Baici, A., Simons, K., … Rajendran, L. (2016). Specific inhibition of β-secretase processing of the Alzheimer disease amyloid precursor protein. Cell Reports, 14(9), 2127-2141. https://doi.org/10.1016/j.celrep.2016.01.076 (Original work published)
Müller, C. S., Knehans, T., Davydov, D. R., Bounds, P. L., von Mandach, U., Halpert, J. R., … Koppenol, W. H. (2015). Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations. Biochemistry, 54(3), 711-721. https://doi.org/10.1021/bi5011656 (Original work published)
Lafleur, K., Huang, D., Zhou, T., Caflisch, A., & Nevado, C. (2009). Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4). Journal of Medicinal Chemistry, 52(20), 6433-6446. https://doi.org/10.1021/jm9009444 (Original work published)
Ekonomiuk, D., & Caflisch, A. (2009). Activation of the West Nile virus NS3 protease: Molecular dynamics evidence for a conformational selection mechanism. Protein Science, 18(5), 1003-1111. https://doi.org/10.1002/pro.110 (Original work published 2009)
Gorfe, A. A., & Caflisch, A. (2005). Functional plasticity in the substrate binding site of beta-secretase. Structure, 13(10), 1487-1498. https://doi.org/10.1016/j.str.2005.06.015 (Original work published 2005)
Ahmed, S., Majeux, N., & Caflisch, A. (2001). Hydrophobicity and functionality maps of farnesyltransferase. Journal of Molecular Graphics and Modelling, 19(3-4), 307-317. https://doi.org/doi:10.1016/S1093-3263(00)00075-9