Skip to main content
. 2022 Feb 11;2(3):247–259. doi: 10.1021/acsphyschemau.1c00052

Table 5. Free Energy Results (kJ/mol) from the GIST Analysis of the AMBER Simulations of Ferritina.

system ΔGROI
ARD –304.5 ± 10.7
ARW –360.9 ± 11.4
AUD –459.1 ± 17.0
AUW –432.7 ± 10.0
HRD –166.4 ± 3.1
HRW –181.5 ± 1.9
HUD –235.7 ± 9.1
HUW –236.3 ± 9.5
a

ΔGROI is calculated as the sum of ΔG(rk) for all grid voxels in the ROI.