Skip to main content
. 2022 Dec 27;12:22404. doi: 10.1038/s41598-022-26929-x

Table 4.

The values of RMSD, RMSF, RGyr, and ∆G Bind for B10- and B15-hMAO-B.

Compounds RMSD (Å) RMSF (Å) RGyr (Å) Binding energy (kcal/mol)
hMAO-B Apo protein
Minimum 1.065 0.418 4.333
Maximum 3.179 9.519 4.658
Average 2.232 1.054 4.493
B10-hMAO-B
Minimum 1.008 0.451 4.173 − 59.82
Maximum 2.364 7.113 4.740 − 86.59
Average 2.038 0.917 4.485 − 75.37
B15-hMAO-B
Minimum 3.024 0.390 4.323 − 70.82
Maximum 2.937 8.099 4.575 − 101.88
Average 2.999 0.944 4.470 − 87.97