. 2021 Sep 23;22(19):10220. doi: 10.3390/ijms221910220

Table 1.

Energetic analysis for TNF in complex with Miyabenol A, Nepalensinol B, Flexuosol A, Kobophenol A and Ampelopsin H, as obtained by MM-GBSA calculations.

	Average kcal/mol	Std.Dev	Average kcal/mol	Std.Dev	Average kcal/mol	Std.Dev	Average kcal/mol	Std.Dev	Average kcal/mol	Std.Dev	Average kcal/mol	Std.Dev
	Miyabenol A	Std.Dev	Nepalensinol B	Std.Dev	Flexuosol A	Std.Dev	Kobophenol A	Std.Dev	Ampelopsin H	Std.Dev	SPD304	Std.Dev
EvDW	−44.514	6.56	−62.4408	3.1846	−31.391	6.848	−46.87	3.6866	−45.9798	3.461	−43.9821	2.5799
EEL	−15.963	6.307	−22.2184	5.5841	−19.287	10.104	−18.6796	6.4461	−13.0541	4.7604	−111.752	5.2156
EGB	45.629	6.965	56.5623	4.9438	39.683	9.983	50.9639	6.0277	45.0963	6.6032	144.1032	5.9402
ΔGGAS	−60.484	9.413	−84.712	6.0403	−50.661	11.583	−65.5466	7.5489	−59.0364	6.6642	−155.734	6.5496
ΔGSOLV	39.698	6.587	49.2238	4.8589	35.445	9.584	44.7208	5.8006	39.3336	6.47	139.36	5.8403
ΔGTOTAL	−20.786	4.184	−35.4882	3.3524	−15.216	7.09	−20.8258	3.7012	−19.7027	2.6903	−16.3744	2.8002