First name
T.
Last name
Knehans
Marchand, J.-R., Knehans, T., Caflisch, A., & Vitalis, A. (2020). An ABSINTH-based protocol for predicting binding affinities between proteins and small molecules. Journal of Chemical Information and Modeling, 60(10), 5188-5202. https://doi.org/10.1021/acs.jcim.0c00558 (Original work published)
Unzue, A., Cribiú, R., Hoffman, M., Knehans, T., Lafleur, K., Caflisch, A., & Nevado, C. (2018). Iriomoteolides: novel chemical tools to study actin dynamics. Chemical Science, 9(15), 3793-3802. https://doi.org/10.1039/C7SC04286H
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)
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)
Pochorovski, I., Knehans, T., Nettels, D., Müller, A. M., Schweizer, W. B., Caflisch, A., … Diederich, F. (2014). Experimental and computational study of BODIPY dye-labeled cavitand dynamics. Journal of the American Chemical Society, 136(6), 2441-2449. https://doi.org/10.1021/ja4104292 (Original work published)