Matthias R. Bauer
Matthias R. Bauer
Novartis Institutes for BioMedical Research
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Put a ring on it: application of small aliphatic rings in medicinal chemistry
MR Bauer, P Di Fruscia, SCC Lucas, IN Michaelides, JE Nelson, RI Storer, ...
RSC Medicinal Chemistry 12 (4), 448-471, 2021
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
Electrostatic complementarity as a fast and effective tool to optimize binding and selectivity of protein-ligand complexes
MR Bauer, MD Mackey
Journal of Medicinal Chemistry, 2019
2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells
MR Bauer, AC Joerger, AR Fersht
Proceedings of the National Academy of Sciences 113 (36), E5271-E5280, 2016
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
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
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
A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C
MR Bauer, RN Jones, RK Tareque, B Springett, FA Dingler, L Verduci, ...
Future Medicinal Chemistry 11 (19), 2491-2504, 2019
Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines
MGJ Baud, MR Bauer, L Verduci, FA Dingler, KJ Patel, DH Roy, ...
European journal of medicinal chemistry 152, 101-114, 2018
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
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
Mutant p53 as a therapeutic target for the treatment of triple-negative breast cancer: Preclinical investigation with the anti-p53 drug, PK11007
NC Synnott, MR Bauer, S Madden, A Murray, R Klinger, N O'Donovan, ...
Cancer letters 414, 99-106, 2018
Targeting cavity-creating p53 cancer mutations with small-molecule stabilizers: the Y220X paradigm
MR Bauer, A Krämer, G Settanni, RN Jones, X Ni, R Khan Tareque, ...
ACS Chemical Biology 15 (3), 657-668, 2020
Inferring multi-target QSAR models with taxonomy-based multi-task learning
L Rosenbaum, A Dörr, MR Bauer, FM Boeckler, A Zell
Journal of cheminformatics 5, 1-20, 2013
DockStream: a docking wrapper to enhance de novo molecular design
J Guo, JP Janet, MR Bauer, E Nittinger, KA Giblin, K Papadopoulos, ...
Journal of cheminformatics 13, 1-21, 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
The curcumin analog HO-3867 selectively kills cancer cells by converting mutant p53 protein to transcriptionally active wildtype p53
E Madan, TM Parker, MR Bauer, A Dhiman, CJ Pelham, M Nagane, ...
Journal of Biological Chemistry 293 (12), 4262-4276, 2018
Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking
TM Ibrahim, MI Ismail, MR Bauer, AA Bekhit, FM Boeckler
Frontiers in chemistry 8, 592289, 2020
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization
TM Ibrahim, MR Bauer, FM Boeckler
Journal of cheminformatics 7, 1-16, 2015
SLMP53-2 restores wild-type-like function to mutant p53 through Hsp70: promising activity in hepatocellular carcinoma
S Gomes, B Bosco, JB Loureiro, H Ramos, L Raimundo, J Soares, ...
Cancers 11 (8), 1151, 2019
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