Table 2. Hydration free energies ΔG^hydr for selected bead types, in kJ mol⁻¹.

Bead Type	Standard MARTINIa		Polarizable MARTINIb
	Partitioning	TI	92%	95%	100%
Qda	−25	−24.7	-	-	−73.8d
Qd/Qa	−25	−24.7	-	-	−67.5d
Q0	−25	−24.7	-	-	−62.8d
P5	−25	−24.7	−23.0	−24.5	−27.7
P4/P3	−18	−18.5	−17.0	−18.7	−21.8
P2/P1	−14	−13.6	−11.9	−13.5	−15.6
Nda/Nd/Na	−9	−7.8	−7.2	−8.3	−10.9
N0	−2	−2.8	−2.3	−3.2	−5.2
C4/C3	5	4.7	5.1	4.0	2.9
C1	14	11.6	11.1	10.6	9.7
POLc	-		-	-	−18.7

The statistical errors of ΔG^hydr obtained via TI are below 0.3 kJ mol⁻¹.

^a‘Partitioning’ values are based on partitioning between vapor and liquid water, obtained from ref [3]; TI values are calculated in the current manuscript using Thermodynamic Integration.

^bValues obtained by TI reducing the interaction strength between polarizable water and other beads to 100%, 95%, and 92% of the standard interaction of a P₄ particle type.

^cHydration free energy of the polarizable water model.

^dInteraction level defined in Table 3.