Fig. 4.

Binding affinities estimated from computational alanine scanning for mutations of the OsPsaC-OsPsaD complex ((ΔΔG ^∗_binding = ΔG ^∗_{binding(mutant)} − ΔG ^∗_{binding(wild ‐ type)}). ΔΔG ^∗_binding results for 11 single mutations in either OsPsaC or OsPsaD in the initial structure at 0 ns (green) and averaged over 10 structures at the end of the 100 ns simulation (pink; error bars represent standard deviations)