Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules. - Wolfgang Guba; Agnes Meyder; Matthias Rarey; Jérôme Hert (J. Chem. Inf. Model., 2016)

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators. - Nils-Ole Friedrich; Agnes Meyder; Christina de Bruyn Kops; Kai Sommer; Florian Flachsenberg; Matthias Rarey; Johannes Kirchmair (J. Chem. Inf. Model., 2017)

ProteinsPlus: a web portal for structure analysis of macromolecules. - Rainer Fährrolfes; Stefan Bietz; Florian Flachsenberg; Agnes Meyder; Eva Nittinger; Thomas Otto; Andrea Volkamer; Matthias Rarey (Nucleic Acids Res., 2017)

Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures. - Agnes Meyder; Eva Nittinger; Gudrun Lange; Robert Klein; Matthias Rarey (J. Chem. Inf. Model., 2017)

StructureProfiler: an all-in-one tool for 3D protein structure profiling. - Agnes Meyder; Stefanie Kampen; Jochen Sieg; Rainer Fährrolfes; Nils-Ole Friedrich; Florian Flachsenberg; Matthias Rarey (Bioinform., 2019)

Conformator: A Novel Method for the Generation of Conformer Ensembles. - Nils-Ole Friedrich; Florian Flachsenberg; Agnes Meyder; Kai Sommer; Johannes Kirchmair; Matthias Rarey (J. Chem. Inf. Model., 2019)

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses. - Florian Flachsenberg; Agnes Meyder; Kai Sommer; Patrick Penner; Matthias Rarey (J. Chem. Inf. Model., 2020)

ProteinsPlus: interactive analysis of protein-ligand binding interfaces. - Katrin Schöning-Stierand; Konrad Diedrich; Rainer Fährrolfes; Florian Flachsenberg; Agnes Meyder; Eva Nittinger; Ruben Steinegger; Matthias Rarey (Nucleic Acids Res., 2020)

Structure Profiling and Geometric Optimization of Protein-Ligand Complexes for the Scoring Function HYDE - Agnes Meyder (2020)

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare. - Patrick Penner; Wolfgang Guba; Robert Schmidt 002; Agnes Meyder; Martin Stahl; Matthias Rarey (J. Chem. Inf. Model., 2022)