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 | 1227 | 2013 |
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 | 104 | 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 | 88 | 2015 |
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 | 55 | 2011 |
Structure and function of naturally evolved de novo proteins AL Erich Bornberg-Bauer, Klara Hlouchova Current Opinion in Structural Biology, 2021 | 51 | 2021 |
Tri-and tetrasubstituted pyridinylimidazoles as covalent inhibitors of c-Jun N-terminal kinase 3 F Muth, A El-Gokha, F Ansideri, M Eitel, E Döring, A Sievers-Engler, ... Journal of Medicinal Chemistry 60 (2), 594-607, 2017 | 47 | 2017 |
Structural and functional characterization of a putative de novo gene in Drosophila A Lange, PH Patel, B Heames, AM Damry, T Saenger, CJ Jackson, ... Nature Communications, 2021 | 45 | 2021 |
Machine learning estimates of natural product conformational energies M Rupp, MR Bauer, R Wilcken, A Lange, M Reutlinger, FM Boeckler, ... PLoS computational biology 10 (1), e1003400, 2014 | 44 | 2014 |
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 | 42 | 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 | 40 | 2015 |
Experimental characterization of de novo proteins and their unevolved random-sequence counterparts B Heames, F Buchel, M Aubel, V Tretyachenko, D Loginov, P Novák, ... Nature ecology & evolution 7 (4), 570-580, 2023 | 32 | 2023 |
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 | 27 | 2013 |
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 | 26 | 2019 |
Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38α mitogen-activated protein kinase F Ansideri, A Lange, A El-Gokha, FM Boeckler, P Koch Analytical Biochemistry 503, 28-40, 2016 | 24 | 2016 |
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 | 23 | 2016 |
Heterologous expression of naturally evolved putative de novo proteins with chaperones LA Eicholt, M Aubel, K Berk, E Bornberg‐Bauer, A Lange Protein Science 31 (8), e4371, 2022 | 12* | 2022 |
Small Molecule Intervention at the Dimerization Interface of Survivin by Novel Rigidized Scaffolds FMB Tamer Ibrahim, Christoph Ernst, Andreas Lange, Susanne Hennig Drug Design, Development and Therapy, 4247–4263, 2019 | 11 | 2019 |
11th German Conference on Chemoinformatics (GCC 2015) U Fechner, C de Graaf, AE Torda, S Güssregen, A Evers, H Matter, ... Journal of cheminformatics 8 (1), 1-27, 2016 | 2 | 2016 |
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 | 2 | 2014 |
Validated scoring of halogen bonding in molecular design MO Zimmermann, A Lange, FM Boeckler Journal of Cheminformatics 6, 1-2, 2014 | 2 | 2014 |