Modeling with Alternate Locations in X-ray Protein Structures. - Torben Gutermuth; Jochen Sieg; Tim Stohn; Matthias Rarey (J. Chem. Inf. Model., 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., 2023)

Redocking the PDB. - Florian Flachsenberg; Christiane Ehrt; Torben Gutermuth; Matthias Rarey (J. Chem. Inf. Model., 2024)

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., 2025)