Internal transcribed spacer 2 (nu ITS2 rRNA) sequence-structure phylogenetics: towards an automated reconstruction of the green algal tree of life MA Buchheim, A Keller, C Koetschan, F Förster, B Merget, M Wolf PLoS One 6 (2), e16931, 2011 | 139 | 2011 |
Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay B Merget, S Turk, S Eid, F Rippmann, S Fulle Journal of Medicinal Chemistry 60 (1), 474-485, 2017 | 123 | 2017 |
Acetylcholinesterase Inhibitors with Photoswitchable Inhibition of β-Amyloid Aggregation X Chen, S Wehle, N Kuzmanovic, B Merget, U Holzgrabe, B König, ... ACS chemical neuroscience 5 (5), 377-389, 2014 | 112 | 2014 |
The ITS2 database B Merget, C Koetschan, T Hackl, F Förster, T Dandekar, T Müller, ... JoVE (Journal of Visualized Experiments), e3806-e3806, 2012 | 82 | 2012 |
Predicting critical micelle concentration and micelle molecular weight of polysorbate 80 using compendial methods AC Braun, D Ilko, B Merget, H Gieseler, O Germershaus, U Holzgrabe, ... European Journal of Pharmaceutics and Biopharmaceutics 94, 559-568, 2015 | 46 | 2015 |
Kinome-Wide Profiling Prediction of Small Molecules FA Sorgenfrei, S Fulle, B Merget ChemMedChem, 2017 | 43 | 2017 |
MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules B Merget, D Zilian, T Müller, CA Sotriffer Bioinformatics 29 (1), 62-68, 2013 | 43 | 2013 |
An Ordered Water Channel in Staphylococcus aureus FabI: Unraveling the Mechanism of Substrate Recognition and Reduction J Schiebel, A Chang, B Merget, G Bommineni, W Yu, L Spagnuolo, ... ACS Biochemistry, 2015 | 38 | 2015 |
Mapping the pharmaceutical design space by amorphous ionic liquid strategies J Wiest, M Saedtler, A Balk, B Merget, T Widmer, H Bruhn, M Raccuglia, ... Journal of Controlled Release, 2017 | 36 | 2017 |
A molecular phylogeny of Hypnales (Bryophyta) inferred from ITS2 sequence-structure data B Merget, M Wolf BMC research notes 3 (1), 320, 2010 | 33 | 2010 |
Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization S Turk, B Merget, F Rippmann, S Fulle Journal of Chemical Information and Modeling, 2017 | 30 | 2017 |
Overcoming safety challenges in CO therapy–Extracorporeal CO delivery under precise feedback control of systemic carboxyhemoglobin levels J Wollborn, C Hermann, U Goebel, B Merget, C Wunder, S Maier, ... Journal of Controlled Release 279, 336-344, 2018 | 27 | 2018 |
Evolutionary Distances in the Twilight Zone—A Rational Kernel Approach RF Schwarz, W Fletcher, F Förster, B Merget, M Wolf, J Schultz, ... PloS one 5 (12), e15788, 2010 | 21 | 2010 |
Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations. B Merget, CA Sotriffer PloS ONE 10 (5), e0127009, 2015 | 19 | 2015 |
Modeling conformational flexibility of kinases in inactive states D Schwarz, B Merget, C Deane, S Fulle Proteins: Structure, Function, and Bioinformatics 87 (11), 943-951, 2019 | 15 | 2019 |
Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence E Piccirillo, B Merget, CA Sotriffer, AT do Amaral Journal of computer-aided molecular design 30 (3), 251-270, 2016 | 15 | 2016 |
Anti-trypanosomal activities and structural chemical properties of selected compound classes A Ponte-Sucre, H Bruhn, T Schirmeister, A Cecil, CR Albert, C Buechold, ... Parasitology Research 114 (2), 501-512, 2015 | 14 | 2015 |
From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate S Turk, B Merget, S Eid, S Fulle Journal of medicinal chemistry 61 (11), 4851-4859, 2018 | 13 | 2018 |
A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure S Eltschkner, J Kehrein, TA Le, S Davoodi, B Merget, S Basak, ... ACS Infectious Diseases 7 (4), 746-758, 2021 | 5 | 2021 |
Quinazolinone Alkaloid Febrifugine and Its Analogues To Control Phytopathogenic Diseases Caused by Oomycete Fungi M Fehr, A Koch, B Merget, C Winter European Journal of Organic Chemistry 2022 (13), e202101522, 2022 | 1 | 2022 |