Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2. - Zeynep Kurkcuoglu; Panagiotis I. Koukos; Nevia Citro; Mikael E. Trellet; João P. G. L. M. Rodrigues; Irina S. Moreira; Jorge Roel-Touris; Adrien S. J. Melquiond; Cunliang Geng; Jörg Schaarschmidt; Li C. Xue; Anna Vangone; et al. (J. Comput. Aided Mol. Des., 2018)

Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server. - Anna Vangone; Jörg Schaarschmidt; Panagiotis I. Koukos; Cunliang Geng; Nevia Citro; Mikael E. Trellet; Li C. Xue; Alexandre M. J. J. Bonvin (Bioinform., 2019)

An Environment for Sustainable Research Software in Germany and Beyond: Current State, Open Challenges, and Call for Action. - Hartwig Anzt; Felix Bach; Stephan Druskat; Frank Löffler 001; Axel Loewe; Bernhard Y. Renard; Gunnar Seemann; Alexander Struck; Elke Achhammer; Piush Aggarwal; Franziska Appel; Michael Bader; et al. (CoRR, 2020)

An environment for sustainable research software in Germany and beyond: current state, open challenges, and call for action. - Hartwig Anzt; Felix Bach; Stephan Druskat; Frank Löffler 001; Axel Loewe; Bernhard Y. Renard; Gunnar Seemann; Alexander Struck; Elke Achhammer; Piush Aggarwal; Franziska Appel; Michael Bader; et al. (F1000Research, 2020)

A Python workflow definition for computational materials design. - Jan Janssen; Janine George; Julian Geiger; Marnik Bercx; Xing Wang; Christina Ertural; Jörg Schaarschmidt; Alex M. Ganose; Giovanni Pizzi; Tilmann Hickel; Jörg Neugebauer (CoRR, 2025)