“…The Martini 3 CG FF, with its increased accuracy and expanded coverage of the chemical space (Souza et al, 2021a;Alessandri et al, 2022), represents a competitive alternative for extracting and targeting druggable structures on such time-scales and/or predicting ligand-target interactions (Souza et al, 2020;Souza et al, 2021b). So far, one of the limitations of the Martini models is the description of proteins' conformational flexibility (Souza et al, 2019;Poma et al, 2017), which is fundamentally linked to biological function (Henzler-Wildman & Kern, 2007;Luo, 2012;Veesler & Johnson, 2012;Campaner et al, 2017;Hadden et al, 2018;Matthes et al, 2018;Maggi, Carloni, & Rossetti, 2020;Bolnykh et al, 2021;Noreng et al, 2021;;Jackson et al, 2022), and pivotal to design new therapeutics (Hammes, 2002;Campaner et al, 2017;Sengupta & Udgaonkar, 2019;Schulz-Schaeffer, Wemheuer, & Wrede, 2020;Xiao et al, 2021;Gossen et al, 2021;Zhao et al, 2021;Margreiter et al, 2022).…”