Table 2. Hydrogen bonds analysis of the small-molecule inhibitor PI003 into PIM1, PIM2 and PIM3 binding sites based upon MD simulations.

Complex	Donor	Acceptor-H	Acceptor	% Occupied	Distance(Ǻ)	Angle(Degree)
PI003-Pim1	57:OE2	DRG:H37	DRG:O22	99.6	2.620	19.44
	154:OD2	DRG:H35	DRG:O18	42.2	2.679	15.11
PI003-Pim2	80:OD1	DRG:H36	DRG:O19	74.3	2.660	19.31
PI003-Pim3	150:OD2	DRG:H36	DRG:O19	97.3	2.682	16.71
	51:OE2	DRG:H37	DRG:O22	95.2	2.626	27.04
	DRG:O21	150:H	150:N	25.8	2.836	27.93