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Frank M. Boeckler
Frank M. Boeckler
Univ. Professor, Lab for Molecular Design & Pharm. Biophysics, Eberhard Karls University Tuebingen
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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
11702013
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
4242008
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
2422012
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
1502013
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
1242012
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
1122006
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
1012012
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
892006
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
862005
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
842015
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
822011
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
722012
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
642016
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
642012
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
612005
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
582015
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
582010
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
572005
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
552007
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
542011
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Artículos 1–20