Table 4 Average values of RMSD and RMSF of protein–ligand complexes
From: Identification of new potent NLRP3 inhibitors by multi-level in-silico approaches
S/NO | Protein/ligand complex | Average RMSD | Average RMSF |
|---|---|---|---|
1 | ZINC12359085-NLRP3 | 3.18 ± 0.006 | 1.54 ± 0.05 |
2 | ZINC72288245-NLRP3 | 3.34 ± 0.062 | 1.41 ± 0.04 |
3 | BA-II-51-NLRP3 | 3.050 ± 004 | 1.19 ± 0.03 |
4 | BA-II-45-NLRP3 | 3.19 ± 0.005 | 2.05 ± 0.06 |
5 | 5,280,448-NLRP3 | 4.099 ± 0.008 | 1.63 ± 0.04 |
6 | 115,089-NLRP3 | 3.84 ± 0.006 | 1.29 ± 0.02 |
7 | Tranilast-NLRP3 | 4.35 ± 0.008 | 1.43 ± 0.06 |