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 | 1209 | 2013 |
Targeted rescue of a destabilized mutant of p53 by an in silico screened drug FM Boeckler, AC Joerger, G Jaggi, TJ Rutherford, DB Veprintsev, ... Proceedings of the National Academy of Sciences 105 (30), 10360-10365, 2008 | 435 | 2008 |
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 | 247 | 2012 |
Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0–A Public Library of Challenging Docking Benchmark Sets MR Bauer, TM Ibrahim, SM Vogel, FM Boeckler Journal of chemical information and modeling 53 (6), 1447-1462, 2013 | 157 | 2013 |
Kinetic mechanism of p53 oncogenic mutant aggregation and its inhibition R Wilcken, GZ Wang, FM Boeckler, AR Fersht Proceedings of the National Academy of Sciences 109 (34), 13584-13589, 2012 | 130 | 2012 |
The structural evolution of dopamine D 3 receptor ligands: structure–activity relationships and selected neuropharmacological aspects F Boeckler, P Gmeiner Pharmacology & therapeutics 112 (1), 281-333, 2006 | 113 | 2006 |
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 (8), 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 |
A highly practical RCM approach towards a molecular building kit of spirocyclic reverse turn mimics H Bittermann, F Böckler, J Einsiedel, P Gmeiner Chemistry-A European Journal 12 (24), 6315-6322, 2006 | 88 | 2006 |
Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles K Schlotter, F Boeckler, H Hübner, P Gmeiner Journal of medicinal chemistry 48 (11), 3696-3699, 2005 | 87 | 2005 |
DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening A Versatile Tool for Benchmarking Docking Programs and Scoring Functions SM Vogel, MR Bauer, FM Boeckler Journal of chemical information and modeling 51 (10), 2650-2665, 2011 | 83 | 2011 |
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 |
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2 SM Vogel, MR Bauer, AC Joerger, R Wilcken, T Brandt, DB Veprintsev, ... Proceedings of the National Academy of Sciences 109 (42), 16906-16910, 2012 | 66 | 2012 |
Harnessing Fluorine–Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue Drugs MR Bauer, RN Jones, MGJ Baud, R Wilcken, FM Boeckler, AR Fersht, ... ACS chemical biology 11 (8), 2265-2274, 2016 | 65 | 2016 |
Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes F Boeckler, H Lanig, P Gmeiner Journal of medicinal chemistry 48 (3), 694-709, 2005 | 64 | 2005 |
Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53 AC Joerger, MR Bauer, R Wilcken, MGJ Baud, H Harbrecht, TE Exner, ... Structure 23 (12), 2246-2255, 2015 | 59 | 2015 |
Synthesis and Molecular Modeling of Novel Tetrahydro-β-carboline Derivatives with Phosphodiesterase 5 Inhibitory and Anticancer Properties HA Mohamed, NMR Girgis, R Wilcken, MR Bauer, HN Tinsley, BD Gary, ... Journal of medicinal chemistry 54 (2), 495-509, 2010 | 59 | 2010 |
Pharmacophore-Guided Drug Discovery Investigations Leading to Bioactive 5-Aminotetrahydropyrazolopyridines. Implications for the Binding Mode of Heterocyclic Dopamine D3 … J Elsner, F Boeckler, FW Heinemann, H Hübner, P Gmeiner Journal of medicinal chemistry 48 (18), 5771-5779, 2005 | 59 | 2005 |
Structure-selectivity investigations of D2-like receptor ligands by CoMFA and CoMSIA guiding the discovery of D3 selective PET radioligands I Salama, C Hocke, W Utz, O Prante, F Boeckler, H Hübner, T Kuwert, ... Journal of medicinal chemistry 50 (3), 489-500, 2007 | 57 | 2007 |
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 | 54 | 2011 |