Publications by authors named "Torben Gutermuth"

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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· January 2026

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SmartChemist─Simplifying Communication About Organic Chemical Structures.
Torben Gutermuth, Patrick Penner, Jochen Sieg, Uschi Dolfus, Matthias Rarey

J Chem Inf Model· September 2025

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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 2024

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Redocking the PDB.
Florian Flachsenberg, Christiane Ehrt, Torben Gutermuth, Matthias Rarey

J Chem Inf Model· January 2024

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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

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Modeling with Alternate Locations in X-ray Protein Structures.
Torben Gutermuth, Jochen Sieg, Tim Stohn, Matthias Rarey

J Chem Inf Model· April 2023

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The pocketome of G-protein-coupled receptors reveals previously untargeted allosteric sites.
Janik B Hedderich, Margherita Persechino, Katharina Becker, Franziska M Heydenreich, Torben Gutermuth

Nat Commun· May 2022

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