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Agnes Meyder
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2020 – today
- 2022
- [j9]Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey:
The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare. J. Chem. Inf. Model. 62(7): 1644-1653 (2022) - 2020
- [b1]Agnes Meyder:
Structure Profiling and Geometric Optimization of Protein-Ligand Complexes for the Scoring Function HYDE. University of Hamburg, Germany, 2020 - [j8]Florian Flachsenberg, Agnes Meyder, Kai Sommer, Patrick Penner, Matthias Rarey:
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses. J. Chem. Inf. Model. 60(12): 6502-6522 (2020) - [j7]Katrin Schöning-Stierand, Konrad Diedrich, Rainer Fährrolfes, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Ruben Steinegger, Matthias Rarey:
ProteinsPlus: interactive analysis of protein-ligand binding interfaces. Nucleic Acids Res. 48(Webserver-Issue): W48-W53 (2020)
2010 – 2019
- 2019
- [j6]Agnes Meyder, Stefanie Kampen, Jochen Sieg, Rainer Fährrolfes, Nils-Ole Friedrich, Florian Flachsenberg, Matthias Rarey:
StructureProfiler: an all-in-one tool for 3D protein structure profiling. Bioinform. 35(5): 874-876 (2019) - [j5]Nils-Ole Friedrich, Florian Flachsenberg, Agnes Meyder, Kai Sommer, Johannes Kirchmair, Matthias Rarey:
Conformator: A Novel Method for the Generation of Conformer Ensembles. J. Chem. Inf. Model. 59(2): 731-742 (2019) - 2017
- [j4]Nils-Ole Friedrich, Agnes Meyder, Christina de Bruyn Kops, Kai Sommer, Florian Flachsenberg, Matthias Rarey, Johannes Kirchmair:
High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators. J. Chem. Inf. Model. 57(3): 529-539 (2017) - [j3]Agnes Meyder, Eva Nittinger, Gudrun Lange, Robert Klein, Matthias Rarey:
Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures. J. Chem. Inf. Model. 57(10): 2437-2447 (2017) - [j2]Rainer Fährrolfes, Stefan Bietz, Florian Flachsenberg, Agnes Meyder, Eva Nittinger, Thomas Otto, Andrea Volkamer, Matthias Rarey:
ProteinsPlus: a web portal for structure analysis of macromolecules. Nucleic Acids Res. 45(Webserver-Issue): W337-W343 (2017) - 2016
- [j1]Wolfgang Guba, Agnes Meyder, Matthias Rarey, Jérôme Hert:
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules. J. Chem. Inf. Model. 56(1): 1-5 (2016)
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