. 2022 Feb 8;10:e12929. doi: 10.7717/peerj.12929

Table 5. Decomposition of the estimated MMGBSA binding energy for the binding of alpha-mangostin, atazanavir, birinapant and lopinavir with SARS-CoV-2 M^pro.

	Alpha-Mangostin	Atazanavir	Birinapant	Lopinavir
van der Waal energy	−184.419	−292.82	−134.625	−227.389
Electrostattic energy	−28.745	−81.919	−305.47	−40.001
Polar solvation energy	113.399	287.534	335.31	177.784
SASA energy	−18.036	−30.595	−16.679	−23.173
Binding energy	−117.863	−117.827	−121.346	−112.801

Table 5. Decomposition of the estimated MMGBSA binding energy for the binding of alpha-mangostin, atazanavir, birinapant and lopinavir with SARS-CoV-2 Mpro.