Reaction Site Mapping of Xenobiotic Biotransformations. - Scott Boyer; Catrin Hasselgren Arnby; Lars Carlsson; James Smith 002; Viktor Stein; Robert C. Glen (J. Chem. Inf. Model., 2007)

SPORCalc: A development of a database analysis that provides putative metabolic enzyme reactions for ligand-based drug design. - James Smith 002; Viktor Stein (Comput. Biol. Chem., 2009)

Wasserstein Gradient Flows for Moreau Envelopes of f-Divergences in Reproducing Kernel Hilbert Spaces. - Sebastian Neumayer; Viktor Stein; Gabriele Steidl; Nicolaj Rux (CoRR, 2024)

Interpolating between Optimal Transport and KL regularized Optimal Transport using R 'enyi Divergences. - Jonas Bresch; Viktor Stein (CoRR, 2024)

Accelerated Stein Variational Gradient Flow. - Viktor Stein; Wuchen Li (CoRR, 2025)