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Rainer Wilcken
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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
11742013
Small molecule induced reactivation of mutant p53 in cancer cells
X Liu, R Wilcken, AC Joerger, IS Chuckowree, J Amin, J Spencer, ...
Nucleic acids research 41 (12), 6034-6044, 2013
2432013
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
2432012
Mutations in sphingosine-1-phosphate lyase cause nephrosis with ichthyosis and adrenal insufficiency
S Lovric, S Goncalves, HY Gee, B Oskouian, H Srinivas, WI Choi, S Shril, ...
The Journal of clinical investigation 127 (3), 912-928, 2017
1912017
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
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
1012012
Structure of the SAS-6 cartwheel hub from Leishmania major
M van Breugel, R Wilcken, SH McLaughlin, TJ Rutherford, CM Johnson
Elife 3, e01812, 2014
672014
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
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, 2011
582011
Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C
A Weiss, E Lorthiois, L Barys, KS Beyer, C Bomio-Confaglia, H Burks, ...
Cancer Discovery 12 (6), 1500-1517, 2022
552022
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
P Pracht, R Wilcken, A Udvarhelyi, S Rodde, S Grimme
Journal of Computer-Aided Molecular Design 32, 1139-1149, 2018
552018
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
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
412014
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
402014
Tracing the evolution of the p53 tetramerization domain
AC Joerger, R Wilcken, A Andreeva
Structure 22 (9), 1301-1310, 2014
382014
JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRASG12C for the Treatment of Solid Tumors
E Lorthiois, M Gerspacher, KS Beyer, A Vaupel, C Leblanc, R Stringer, ...
Journal of medicinal chemistry 65 (24), 16173-16203, 2022
332022
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
272013
Benchmarking different QM levels for usage with COSMO-RS
J Reinisch, M Diedenhofen, R Wilcken, A Udvarhelyi, A Glöß
Journal of Chemical Information and Modeling 59 (11), 4806-4813, 2019
262019
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