Fpocket: An open source platform for ligand pocket detection. - Vincent Le Guilloux; Peter Schmidtke; Pierre Tufféry (BMC Bioinform., 2009)

Large-Scale Comparison of Four Binding Site Detection Algorithms. - Peter Schmidtke; Catherine Souaille; Frédéric Estienne; Nicolas Baurin; Romano T. Kroemer (J. Chem. Inf. Model., 2010)

fpocket: online tools for protein ensemble pocket detection and tracking. - Peter Schmidtke; Vincent Le Guilloux; Julien Maupetit; Pierre Tufféry (Nucleic Acids Res., 2010)

MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories. - Peter Schmidtke; Axel Bidon-Chanal; F. Javier Luque; Xavier Barril (Bioinform., 2011)

Towards a complete structure of the hERG channel. - Peter Schmidtke; Ciantar Marine; Isabelle Theret; Pierre Ducrot (J. Cheminformatics, 2013)

Fuzzy context specific matched molecular pairs. - Peter Schmidtke; Vincent Le Guilloux (J. Cheminformatics, 2014)

Dynamics of hERG Closure Allow Novel Insights into hERG Blocking by Small Molecules. - Peter Schmidtke; Marine Ciantar; Isabelle Theret; Pierre Ducrot (J. Chem. Inf. Model., 2014)

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. - Sergio Ruiz-Carmona; Daniel Alvarez-Garcia; Nicolas Foloppe; A. Beatriz Garmendia-Doval; Szilveszter Juhos; Peter Schmidtke; Xavier Barril; Roderick E. Hubbard; S. David Morley (PLoS Comput. Biol., 2014)

Industry-Scale Orchestrated Federated Learning for Drug Discovery. - Martijn Oldenhof; Gergely Ács; Balázs Pejó; Ansgar Schuffenhauer; Nicholas Holway; Noé Sturm; Arne Dieckmann; Oliver Fortmeier; Eric Boniface; Clément Mayer; Arnaud Gohier; Peter Schmidtke; et al. (CoRR, 2022)

Industry-Scale Orchestrated Federated Learning for Drug Discovery. - Martijn Oldenhof; Gergely Ács; Balázs Pejó; Ansgar Schuffenhauer; Nicholas Holway; Noé Sturm; Arne Dieckmann; Oliver Fortmeier; Eric Boniface; Clément Mayer; Arnaud Gohier; Peter Schmidtke; et al. (AAAI, 2023)

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. - Wouter Heyndrickx; Lewis H. Mervin; Tobias Morawietz; Noé Sturm; Lukas Friedrich; Adam Zalewski; Anastasia Pentina; Lina Humbeck; Martijn Oldenhof; Ritsuya Niwayama; Peter Schmidtke; Nikolas Fechner; et al. (J. Chem. Inf. Model., 2024)