Christiane Ehrt

According to our database, Christiane Ehrt authored at least 13 papers between 2018 and 2025.

Collaborative distances:

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

2025

Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays.

Sophia M. N. Hönig, Torben Gutermuth, Christiane Ehrt, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2025

2024

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2024

User-centric design of a 3D search interface for protein-ligand complexes.

Konrad Diedrich, Christiane Ehrt, Joel Graef, Martin Poppinga, Norbert Ritter, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2024

Redocking the PDB.

Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey

J. Chem. Inf. Model., January, 2024

Optimization and Evaluation Datasets for PiMine.

Joel Graef, Christiane Ehrt, Thorben Reim, Matthias Rarey

Dataset, January, 2024

Optimization and Evaluation Datasets for PiMine.

Joel Graef, Christiane Ehrt, Thorben Reim, Matthias Rarey

Dataset, January, 2024

Database-Driven Identification of Structurally Similar Protein-Protein Interfaces.

Joel Graef, Christiane Ehrt, Thorben Reim, Matthias Rarey

J. Chem. Inf. Model., 2024

2023

Optimization and Evaluation Datasets for PiMine.

Joel Graef, Christiane Ehrt, Thorben Reim, Matthias Rarey

Dataset, September, 2023

Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3.

Joel Graef, Christiane Ehrt, Matthias Rarey

J. Chem. Inf. Model., May, 2023

2022

Proteins<i>Plus</i>: a comprehensive collection of web-based molecular modeling tools.

Katrin Schöning-Stierand, Konrad Diedrich, Christiane Ehrt, Florian Flachsenberg, Joel Graef, Jochen Sieg, Patrick Penner, Martin Poppinga, Annett Ungethüm, Matthias Rarey

Nucleic Acids Res., 2022

2020

SCOT: Rethinking the classification of secondary structure elements.

Tobias Brinkjost, Christiane Ehrt, Oliver Koch, Petra Mutzel

Bioinform., 2020

2019

Binding Site Comparison - Software and Applications.

Oliver Koch, Christiane Ehrt, Tobias Brinkjost

Proceedings of the Encyclopedia of Bioinformatics and Computational Biology - Volume 2, 2019

2018

A benchmark driven guide to binding site comparison: An exhaustive evaluation using tailor-made data sets (ProSPECCTs).

Christiane Ehrt, Tobias Brinkjost, Oliver Koch

PLoS Comput. Biol., 2018