Agnes Meyder

According to our database, Agnes Meyder authored at least 10 papers between 2016 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.

Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey

J. Chem. Inf. Model., 2022

2020

Structure Profiling and Geometric Optimization of Protein-Ligand Complexes for the Scoring Function HYDE

Agnes Meyder

PhD thesis, 2020

Proteins<i>Plus</i>: 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

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

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

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

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., October, 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

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

2016

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