Principles and applications of halogen bonding in medicinal chemistry and chemical biology R Wilcken, MO Zimmermann, A Lange, AC Joerger, FM Boeckler Journal of medicinal chemistry 56 (4), 1363-1388, 2013 | 1307 | 2013 |
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53 R Wilcken, X Liu, MO Zimmermann, TJ Rutherford, AR Fersht, AC Joerger, ... Journal of the American Chemical Society 134 (15), 6810-6818, 2012 | 260 | 2012 |
Using halogen bonds to address the protein backbone: a systematic evaluation R Wilcken, MO Zimmermann, A Lange, S Zahn, FM Boeckler Journal of computer-aided molecular design 26, 935-945, 2012 | 108 | 2012 |
Targeting the gatekeeper MET146 of C-Jun N-terminal kinase 3 induces a bivalent halogen/chalcogen bond A Lange, M Günther, FM Büttner, MO Zimmermann, J Heidrich, ... Journal of the American Chemical Society 137 (46), 14640-14652, 2015 | 91 | 2015 |
Tri-and tetrasubstituted pyrazole derivates: regioisomerism switches activity from p38MAP kinase to important cancer kinases BA Thaher, M Arnsmann, F Totzke, JE Ehlert, MHG Kubbutat, ... Journal of Medicinal Chemistry 55 (2), 961-965, 2012 | 75 | 2012 |
Addressing methionine in molecular design through directed sulfur–halogen bonds R Wilcken, MO Zimmermann, A Lange, S Zahn, B Kirchner, FM Boeckler Journal of chemical theory and computation 7 (7), 2307-2315, 2011 | 58 | 2011 |
Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery MO Zimmermann, A Lange, R Wilcken, MB Cieslik, TE Exner, AC Joerger, ... Future medicinal chemistry 6 (6), 617-639, 2014 | 44 | 2014 |
Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore MO Zimmermann, A Lange, FM Boeckler Journal of chemical information and modeling 55 (3), 687-699, 2015 | 43 | 2015 |
Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity S Fischer, HK Wentsch, SC Mayer-Wrangowski, M Zimmermann, ... Journal of medicinal chemistry 56 (1), 241-253, 2013 | 42 | 2013 |
Targeting Histidine Side Chains in Molecular Design through Nitrogen–Halogen Bonds A Lange, MO Zimmermann, R Wilcken, S Zahn, FM Boeckler Journal of chemical information and modeling 53 (12), 3178-3189, 2013 | 31 | 2013 |
Experimental and theoretical evaluation of the ethynyl moiety as a halogen bioisostere R Wilcken, MO Zimmermann, MR Bauer, TJ Rutherford, AR Fersht, ... ACS Chemical Biology 10 (12), 2725-2732, 2015 | 30 | 2015 |
Scaffold effects on halogen bonding strength A Lange, J Heidrich, MO Zimmermann, TE Exner, FM Boeckler Journal of Chemical Information and Modeling 59 (2), 885-894, 2019 | 27 | 2019 |
Using surface scans for the evaluation of halogen bonds toward the side chains of aspartate, asparagine, glutamate, and glutamine MO Zimmermann, A Lange, S Zahn, TE Exner, FM Boeckler Journal of Chemical Information and Modeling 56 (7), 1373-1383, 2016 | 26 | 2016 |
Principles and Applications of CF2X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery S Vaas, MO Zimmermann, D Schollmeyer, J Stahlecker, MU Engelhardt, ... Journal of Medicinal Chemistry 66 (15), 10202-10225, 2023 | 19 | 2023 |
Targeting the protein backbone with aryl halides: systematic comparison of halogen bonding and π⋯ π interactions using N-methylacetamide MO Zimmermann, FM Boeckler MedChemComm 7 (3), 500-505, 2016 | 15 | 2016 |
Screening of a halogen-enriched fragment library leads to unconventional binding modes M Dammann, J Stahlecker, MO Zimmermann, T Klett, K Rotzinger, ... Journal of Medicinal Chemistry 65 (21), 14539-14552, 2022 | 12 | 2022 |
Discovery of Ircinianin Lactones B and C—Two New Cyclic Sesterterpenes from the Marine Sponge Ircinia wistarii T Majer, K Bhattarai, J Straetener, J Pohlmann, P Cahill, MO Zimmermann, ... Marine Drugs 20 (8), 532, 2022 | 8 | 2022 |
Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C J Stahlecker, T Klett, M Schwer, S Jaag, M Dammann, LN Ernst, MB Braun, ... RSC Medicinal Chemistry 13 (12), 1575-1586, 2022 | 8 | 2022 |
Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1) M Dammann, M Kramer, MO Zimmermann, FM Boeckler Frontiers in Chemistry 9, 815567, 2022 | 7 | 2022 |
Towards a QM-based scoring function for the recognition and assessment of halogen bonds FM Boeckler, MO Zimmermann, A Lange, E Veyisoglu, J Heidrich, I Onila, ... Abstracts of Papers of the American Chemical Society 248, 2014 | 3 | 2014 |