Torben Gutermuth

According to our database, Torben Gutermuth authored at least 9 papers between 2023 and 2026.

Collaborative distances:

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

2026

Supporting Information for the StrAcTable publication.

Torben Gutermuth, Emanuel S. R. Ehmki, Florian Flachsenberg, Patrick Penner, Sophia M. N. Hönig, Tobias Harren, Matthias Rarey

Dataset, January, 2026

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Torben Gutermuth, Emanuel S. R. Ehmki, Florian Flachsenberg, Patrick Penner, Sophia M. N. Hönig, Tobias Harren, Matthias Rarey

J. Chem. Inf. Model., 2026

ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data.

Emanuel S. R. Ehmki, Torben Gutermuth, Tobias Harren, Stefan Kurtz, Matthias Rarey

J. Chem. Inf. Model., 2026

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

Supporting Information for the ActivityFinder publication.

Emanuel S. R. Ehmki, Torben Gutermuth, Tobias Harren, Stefan Kurtz, Matthias Rarey

Dataset, December, 2025

SmartChemist─Simplifying Communication About Organic Chemical Structures.

Torben Gutermuth, Patrick Penner, Jochen Sieg, Uschi Dolfus, Matthias Rarey

J. Chem. Inf. Model., 2025

2024

Redocking the PDB.

Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey

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

2023

Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead Structures.

Uschi Dolfus, Hans Briem, Torben Gutermuth, Matthias Rarey

J. Chem. Inf. Model., November, 2023

Modeling with Alternate Locations in X-ray Protein Structures.

Torben Gutermuth, Jochen Sieg, Tim Stohn, Matthias Rarey

J. Chem. Inf. Model., April, 2023