Dr. Josef Kehrein

Publikationen

“Molecular Dynamics Simulations for Rationalizing Polymer Bioconjugation Strategies: Challenges, Recent Developments, and Future Opportunities.”
J. Kehrein and C. Sotriffer
ACS Biomater. Sci. Eng. (2023) Article ASAP
DOI: 10.1021/acsbiomaterials.3c00636

“Unraveling an Alternative Mechanism in Polymer Self-Assemblies: An Order–Order Transition with Unusual Molecular Interactions between Hydrophilic and Hydrophobic Polymer Blocks”
L. Hahn, T. Zorn, J. Kehrein, T. Kielholz, A.-L. Ziegler, S. Forster, B. Sochor, E. S. Lisitsyna, N. A. Durandin, T. Laaksonen, V. Aseyev, C. Sotriffer, K. Saalwächter, M. Windbergs, A.-C. Pöppler and R. Luxenhofer
ACS Nano 17 (7) (2023) 6932-6942
DOI: 10.1021/acsnano.3c00722

“Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97”
S. Bothe, P. Hänzelmann, S. Böhler, J. Kehrein, M. Zehe, C. Wiedemann, U. A. Hellmich, R. Brenk, H. Schindelin and C. Sotriffer
Commun. Chem. 5 (1) (2022) 169
DOI: 10.1038/s42004-022-00782-5

“Predicting Bile and Lipid Interaction for Drug Substances”
J. Schlauersbach, J. Kehrein, S. Hanio, B. Galli, C. Harlacher, C. Heidenreich, B. Lenz, C. Sotriffer and L. Meinel
Mol. Pharm. 19 (8) (2022) 2868-2876
DOI: 10.1021/acs.molpharmaceut.2c00227

“Molecular Insights into Site-Specific Interferon-α2a Bioconjugates Originated from PEG, LPG, and PEtOx”
N. Hauptstein, P. Pouyan, J. Kehrein, M. Dirauf, M. D. Driessen, M. Raschig, K. Licha, M. Gottschaldt, U. S. Schubert, R. Haag, L. Meinel, C. Sotriffer and T. Lühmann
Biomacromolecules 22 (11) (2021) 4521-4534
DOI: 10.1021/acs.biomac.1c00775

"A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure"
S. Eltschkner, J. Kehrein, T. A. Le, S. Davoodi, B. Merget, S. Basak, J. D. Weinrich, J. Schiebel, P. J. Tonge, B. Engels, C. Sotriffer and C. Kisker
ACS Infect. Dis. 7 (4) (2021) 746–758
DOI: 10.1021/acsinfecdis.0c00437

"Controlling Supramolecular Structures of Drugs by Light"
J. Wiest, J. Kehrein, M. Saedtler, K. Schilling, E. Cataldi, C. A. Sotriffer, U. Holzgrabe, T. Rasmussen, B. Böttcher, M. Cronin-Golomb, M. Lehmann, N. Jung, M. Windbergs, L. Meinel
Mol. Pharm. 17 (12) (2020) 4704-4708
DOI: 10.1021/acs.molpharmaceut.0c00720

"How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System"
C. Kersten, E. Fleischer, J. Kehrein, C. Borek, E. Jaenicke, C. Sotriffer, R. Brenk
J. Med. Chem. 63 (5) (2020) 2095–2113
DOI: 10.1021/acs.jmedchem.9b00586