Table 3.

Predicted affinity of POM variants to BACE1

POM formula	PDB source	BACE1 affinity ΔG)kcal/mol(
[ZrPW11O39]3−	4xyy [41]	– 10.14
[ZnPW11O39]5−	6ruw [43]	– 10.48
[NiPW11O39]5−	6ruh [43]	– 10.14
[NiSiW11O39]6−	7a9m [44]	– 9.91
[CoSiW11O39]6−	7a9k [44]	– 9.72
[SiW11O39]7−	6y7o [45]	– 10.60