KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings. - Panagiotis D. Kolokathis; Oleg M. Braun (J. Comput. Chem., 2019)

Enalos Cloud Platform: A User-Oriented Approach to Cheminformatics and Advanced Materials Informatics. - Dimitra-Danai Varsou; Andreas Tsoumanis; Panagiotis D. Kolokathis; Dimitris G. Mintis; Konstantinos D. Papavasileiou; Nikolaos K. Sidiropoulos; Georgia Melagraki; Antreas Afantitis (SETN, 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)