Benjamin Merget
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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
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
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
The ITS2 database
B Merget, C Koetschan, T Hackl, F Förster, T Dandekar, T Müller, ...
JoVE (Journal of Visualized Experiments), e3806-e3806, 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
Kinome-Wide Profiling Prediction of Small Molecules
FA Sorgenfrei, S Fulle, B Merget
ChemMedChem, 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
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
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
A molecular phylogeny of Hypnales (Bryophyta) inferred from ITS2 sequence-structure data
B Merget, M Wolf
BMC research notes 3 (1), 320, 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
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
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
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
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
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
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
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
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
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
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Articles 1–20