Table 2.

The various MM-PBSA terms for the binding of DENV serotypes to 513 and 4E11.

Contribution	DENV1		DENV2		DENV3		DENV4(NC)		DENV4(P)
	513	4E11	513	4E11	513	4E11	513	4E11	513	4E11
*ΔEele	−388	−436	−599	−515	−375	−466	−488	−375	−495	−356
	(50)	(31)	(40)	(31)	(46)	(35)	(36)	(33)	(45)	(35)
**ΔEvdW	−120-	−101	−93	−110	−100	−74	−102	−99	−95	−78
	(6)	(6)	(6)	(8)	(7)	(6)	(8)	(5)	(6)	(5)
***ΔGEPB	428	464	613	551	420	483	519	408	519	403
	(41)	(32)	(36)	(46)	(40)	(31)	(33)	(29)	(37)	(37)
$ΔGCavity	−13	−11	−12	−13	−12	−11	−12	−11	−12	−11
	(0.4)	(0.3)	(0.3)	(0.4)	(0.5)	(0.3)	(0.6)	(0.3)	(0.3)	(0.5)
$$ΔGgas	−509	−538	−692	−625	−408	−540	−590	−473	−590	−434
	(47)	(31)	(39)	(33)	(40)	(35)	(37)	(32)	(44)	(33)
#ΔGsol	415	452	601	537	475	472	506	396	506	392
	(39)	(35)	(36)	(32)	(46)	(31)	(33)	(28)	(37)	(33)
ˆΔGbind	−94	−86	−90	−87	−67	−67	−83	−76	−83	−42
	(8)	(7)	(4)	(3)	(11)	(11)	(7)	(9)	(11)	(9)

All units are given in kcal/mol.

^*ΔE_ele: electrostatic energy.

^**ΔE_vdW: van der Waals energy.

^***ΔG_EPB: the electrostatic contribution to solvation free energy.

^$ΔG_Cavity: nonpolar contribution to the solvation free energy.

^$$ΔG_gas: gas-phase energy.

^#ΔG_sol: solvation energy.

ˆΔG_bind: estimated binding free energy.

Standard deviations of corresponding values are given in parentheses.

DENV4 (NC) corresponds to New Caledonia strain; DENV (P) Corresponds to Philippines strain.