Docking to heme proteins. - Ute F. Röhrig; Aurélien Grosdidier; Vincent Zoete; Olivier Michielin (J. Comput. Chem., 2009)

Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function. - Prasad Chaskar; Vincent Zoete; Ute F. Röhrig (J. Chem. Inf. Model., 2014)

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. - Vincent Zoete; Thierry Schüpbach; Christophe Bovigny; Prasad Chaskar; Antoine Daina; Ute F. Röhrig; Olivier Michielin (J. Comput. Chem., 2016)

On-the-Fly QM/MM Docking with Attracting Cavities. - Prasad Chaskar; Vincent Zoete; Ute F. Röhrig (J. Chem. Inf. Model., 2017)

Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking. - Ute F. Röhrig; Mathilde Goullieux; Marine Bugnon; Vincent Zoete (J. Chem. Inf. Model., 2023)

SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization. - Marine Bugnon; Mathilde Goullieux; Ute F. Röhrig; Marta A. S. Perez; Antoine Daina; Olivier Michielin; Vincent Zoete (J. Chem. Inf. Model., 2023)

Two-Step Covalent Docking with Attracting Cavities. - Mathilde Goullieux; Vincent Zoete; Ute F. Röhrig (J. Chem. Inf. Model., 2023)