| Molecular insights into site-specific interferon-α2a bioconjugates originated from PEG, LPG, and PEtOx N Hauptstein, P Pouyan, J Kehrein, M Dirauf, MD Driessen, M Raschig, ... Biomacromolecules 22 (11), 4521-4534, 2021 | 23 | 2021 |
| 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, AL Ziegler, S Forster, B Sochor, ... ACS nano 17 (7), 6932-6942, 2023 | 11 | 2023 |
| 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, ... Journal of Medicinal Chemistry 63 (5), 2095-2113, 2019 | 11 | 2019 |
| Controlling supramolecular structures of drugs by light J Wiest, J Kehrein, M Saedtler, K Schilling, E Cataldi, CA Sotriffer, ... Molecular Pharmaceutics 17 (12), 4704-4708, 2020 | 8 | 2020 |
| Unravel the Tangle: Atomistic Insight into Ultrahigh Curcumin‐Loaded Polymer Micelles J Kehrein, E Gürsöz, M Davies, R Luxenhofer, A Bunker Small 19 (44), 2303066, 2023 | 6 | 2023 |
| Molecular dynamics simulations for rationalizing polymer bioconjugation strategies: Challenges, recent developments, and future opportunities J Kehrein, C Sotriffer ACS Biomaterials Science & Engineering 10 (1), 51-74, 2023 | 5 | 2023 |
| Predicting bile and lipid interaction for drug substances J Schlauersbach, J Kehrein, S Hanio, B Galli, C Harlacher, C Heidenreich, ... Molecular pharmaceutics 19 (8), 2868-2876, 2022 | 5 | 2022 |
| 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, TA Le, S Davoodi, B Merget, S Basak, ... ACS infectious diseases 7 (4), 746-758, 2021 | 5 | 2021 |
| 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, ... Communications Chemistry 5 (1), 169, 2022 | 4 | 2022 |
| Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct M Zehe, J Kehrein, C Schollmayer, C Plank, H Kovacs, ... ACS chemical biology 19 (2), 392-406, 2024 | 1 | 2024 |
| POxload: Machine Learning Estimates Drug Loadings of Polymeric Micelles J Kehrein, A Bunker, R Luxenhofer Molecular Pharmaceutics, 2024 | 1 | 2024 |
| Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study A Bunker, J Kehrein Exploring Computational Pharmaceutics: AI and Modeling in Pharma 4.0, 104, 2024 | | 2024 |
| Thionation of poly (2-ethyl-2-oxazoline) and its effect on solubility and cloud point A Hacioglu, V Baddam, A Kerr, J Kehrein, A Bunker, R Luxenhofer | | 2024 |
| Unravel the tangle: atomistic insight into ultrahigh curcumin-loaded poly (2-oxazoline) and poly (2-oxazine)-based micelles J Kehrein, E Gürsöz, R Luxenhofer, A Bunker | | 2023 |
| Simulationsstudien zur ortsspezifischen Biokonjugation maßgeschneiderter Polymere J Kehrein Universität Würzburg, 2022 | | 2022 |
| Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks L Hahn, T Zorn, J Kehrein, T Kielholz, AL Ziegler, S Forster, B Sochor, ... | | 2021 |
| P15 Correlation of IFN-α2a bioconjugate stability and polymer hydrophilicity N Hauptstein, P Pouyan, M Dirauf, J Kehrein, M Raschig, K Licha, ... Book of Abstracts, 54, 0 | | |
| P16 Effects of PEG-based bioconjugation on protein conformational stability: A simulation-based model J Kehrein, C Nkemeto, L Meinel, T Lühmann, C Sotriffer Book of Abstracts, 56, 0 | | |
| Molecular and Statistical Modeling of Polymeric Micelles J Kehrein, A Bunker, R Luxenhofer 12-3D COLONOIDS AS COLONIC IN VITRO ADME MODELS REFLECTIVE OF NATIVE …, 0 | | |
| Chapter I: Predicting bile and lipid interaction for drug substances J Schlauersbach, J Kehrein, S Hanio, B Galli, C Harlacher, C Heidenreich, ... The bile-drug-excipient interplay, 27, 0 | | |
