Table 6 MMPBSA binding free energies (kcal/mol) for MCC950 and ZYIL1

From: Structure-based virtual screening for assessing the efficacy of NLRP3 small molecule compounds on sepsis

See More Ligands	ΔVDWAALS	E_EL	E_GB	E_SURF	ΔGGAS	ΔGSOLV	ΔTOTAL
MCC950	− 49.74 ± 0.08	− 81.17 ± 1.13	89.19 ± 1.48	− 7.19 ± 0.03	− 130.91 ± 1.13	82.00 ± 1.48	− 48.91 ± 1.87
ZYIL1	− 53.30 ± 1.6	− 15.14 ± 0.31	24.68 ± 0.70	− 5.70 ± 0.07	− 68.44 ± 1.10	18.98 ± 0.70	− 49.46 ± 1.30

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