| 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 | 261 | 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 | 171 | 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 | 137 | 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 | 121 | 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 | 88 | 2011 |
| 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 | 73 | 2018 |
| 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 | 72 | 2019 |
| 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 | 69 | 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 | 69 | 2012 |
| 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 | 67 | 2020 |
| 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 | 63 | 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 | 61 | 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 | 59 | 2011 |
| 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 | 57 | 2021 |
| 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 | 54 | 2013 |
| 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 | 46 | 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 | 45 | 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 | 32 | 2020 |
| 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 | 30 | 2019 |
| Experimental and theoretical evaluation of the ethynyl moiety as a halogen bioisostere R Wilcken, MO Zimmermann, MR Bauer, TJ Rutherford, AR Fersht, ... ACS Chemical Biology 10 (12), 2725-2732, 2015 | 30 | 2015 |
Frank M. BoecklerUniv. Professor, Lab for Molecular Design & Pharm. Biophysics, Eberhard Karls University TuebingenVerified email at uni-tuebingen.de
