. 2021 Apr 20;125(16):4148–4161. doi: 10.1021/acs.jpcb.1c01073

Table 5. Parameters for Δh and Δc_P Extracted from Nonlinear Least Squares Analysis of Computed Temperature-Dependent Free Energies and Fits to eq 3.

side chain mimicked by the model compound	estimated Δh at 298 K (kcal/mol)	estimated Δc_P (cal/(mol K))
Arg⁺	–57.24	69.39
Lys⁺	–70.37	29.98
Asp^–	–98.65	–44.97
Glu^–	–96.62	–8.75

Table 5. Parameters for Δh and ΔcP Extracted from Nonlinear Least Squares Analysis of Computed Temperature-Dependent Free Energies and Fits to eq 3.