“…The description of hydrogen bonds in standard force fields, however, does not contain important contributions, e.g., from polarization and partially covalent character (Babin et al, 2006). It was demonstrated in many cases including structure of water (Dang, 1998), binding of ligands to proteins (Friesner, 2005; Jiao et al, 2008), and protein folding and unfolding (Morozov et al, 2006; Freddolino et al, 2010; Piana et al, 2011, 2014; Huang and MacKerell, 2014; Lemkul et al, 2016; Célerse et al, 2019) that polarizability contributes significantly to the accuracy of simulations of structures with hydrogen bonds. Also, salt bridging between amino acids is likely overestimated in strength when the effects of polarization are not included (Friesner, 2005; Vazdar et al, 2013; Debiec et al, 2014; Ahmed et al, 2018; Célerse et al, 2019; Mason et al, 2019).…”