Fig. 4: Experimental heparin–hFGF1 binding-free-energy measurements.
From: Binding affinity estimation from restrained umbrella sampling simulations
Isothermogram representing the titration of hFGF1 with heparin hexasaccharide. a, The raw data. The horizontal red line represents the zero axis in the plot. b, The best fit of the raw data (one set of sites binding model). In the specific experiment shown, Kd is 1.68 ± 0.03 μM and the free energy from experimental Kd is −7.88 ± 0.01 kcal mol−1. ΔH, heat change.
