Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents

Journal of Chemical Informatics and Modeling, 2023, 63, 1301-1312.

Arafet, K.; Scalvini, L.; Galvani, F.; Martí, S.; Moliner, V.; Mor, M.; Lodola, A.

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.