Journal publications

• Mons, Elma; Roet, Sander; Kim, Robbert Q.; Mulder, Monique P. C.. (2022) A Comprehensive Guide for Assessing Covalent Inhibition in Enzymatic Assays Illustrated with Kinetic Simulations. Current Protocols. vol. 2.
• Ghysels, An; Roet, Sander; Davoudi, Samaneh; van Erp, Titus Sebastiaan. (2021) Exact non-Markovian permeability from rare event simulations. Physical Review Research (PRResearch). vol. 3 (3).
• Roet, Sander; Daub, Christopher David; Riccardi, Enrico. (2021) Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning. Journal of Chemical Theory and Computation. vol. 17 (10).
• Riccardi, Enrico; Lervik, Anders; Roet, Sander; Aarøen, Ola; van Erp, Titus Sebastiaan. (2019) PyRETIS 2: An improbability drive for rare events. Journal of Computational Chemistry. vol. 41 (4).