Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field. - Federico N. Pedron; Andresa Messias; Ari Zeida; Adrian E. Roitberg; Dario A. Estrin (J. Chem. Inf. Model., 2023)

MaX - Materials design at the exascale - a EuroHPC Centre of Excellence: Recent selected results: Invited Paper. - Lubomir Riha; Ada Böhm; Ondrej Vysocky; Filip Vaverka; Elisabetta Boella; Daniele Gregori; Mattia Paladino; Pietro Delugas; Oscar Baseggio; Stefano Baroni; Francesco Andreucci; Kaveh Haghighi Mood; et al. (CF (Companion), 2025)