A FAIR-Compliant Management Solution for Molecular Simulation Trajectories. - Andreas Vitalis; Steffen Winkler; Yang Zhang 108; Julian Widmer; Amedeo Caflisch (J. Chem. Inf. Model., 2025)

Benchmarking the robustness of the correct identification of flexible 3D objects using common machine learning models. - Yang Zhang 108; Andreas Vitalis (Patterns, 2025)

Parallelized Tools for the Preparation and Curation of Large Libraries for Virtual Screening. - Andreas Vitalis; David Parker; Fabian Radler; Pablo A. Vargas-Rosales; Yang Zhang 108; Jean-Rémy Marchand; Amedeo Caflisch (J. Comput. Chem., 2025)