Semantic interoperability and characterization of data provenance in computational molecular engineering. - Martin Thomas Horsch; Christoph Niethammer; Gianluca Boccardo; Paola Carbone; Silvia Chiacchiera; Mara Chiricotto; Joshua D. Elliott; Vladimir Lobaskin; Philipp Neumann; Matthew Schiffels; Michael Seaton 001; Ilian T. Todorov; et al. (CoRR, 2019)

NPCoronaPredict: A Computational Pipeline for the Prediction of the Nanoparticle-Biomolecule Corona. - Ian Rouse; David Power; Julia Subbotina; Vladimir Lobaskin (J. Chem. Inf. Model., 2024)

UANanoDock: A Web-Based UnitedAtom Multiscale Nanodocking Tool for Predicting Protein Adsorption onto Nanoparticles. - Julia Subbotina; Panagiotis D. Kolokathis; Andreas Tsoumanis; Nikolaos K. Sidiropoulos; Ian Rouse; Iseult Lynch; Vladimir Lobaskin; Antreas Afantitis (J. Chem. Inf. Model., 2025)