Agnes Meyder

Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules

Matthias Rarey, Wolfgang Guba, Agnes Meyder, 2016, J. Chem. Inf. Model..

StructureProfiler: an all‐in‐one tool for 3D protein structure profiling

Matthias Rarey, Agnes Meyder, Nils-Ole Friedrich, 2018, Bioinform..

A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses

Matthias Rarey, Agnes Meyder, Kai Sommer, 2020, J. Chem. Inf. Model..

From cheminformatics to structure-based design: Web services and desktop applications based on the NAOMI library.

Matthias Rarey, Thomas Otto, Agnes Meyder, 2017, Journal of biotechnology.

Conformator: A Novel Method for the Generation of Conformer Ensembles

Matthias Rarey, Agnes Meyder, Kai Sommer, 2019, J. Chem. Inf. Model..

ProteinsPlus: a web portal for structure analysis of macromolecules

Matthias Rarey, Agnes Meyder, Stefan Bietz, 2017, Nucleic Acids Res..

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators

Matthias Rarey, Agnes Meyder, Kai Sommer, 2017, J. Chem. Inf. Model..

Estimating Electron Density Support for Individual Atoms and Molecular Fragments in X-ray Structures

Matthias Rarey, Agnes Meyder, Eva Nittinger, 2017, J. Chem. Inf. Model..