Table 3. Hydrogen bonding interactions between inhibitors and AURKA/B computed by the CPPTRAJ.

Complexes	Hydrogen Bonds	Distance (Å)	Angle (°)	Occupancy (%)
HPM-AURKA	Ala87-H-----HPM-N17	3.25	144.00	78.23
HPM-AURKB	Lys38-HE2-----HPM-O36	3.29	138.31	34.32
MPY-AURKA	Asp148-HA-----MPY-O26	3.55	138.44	44.09
MPY-AURKB	Gly91-CA-----MPY-C24	3.70	148.61	70.51
VX6-AURKA	Ala87-H-----VX6-N14	3.67	146.61	64.48
VX6-AURKB	Ala88-H-----VX6-N14	3.64	148.54	74.39