Summary of the MM/PBSA Energy (kcal/mol) Component Analysis of the Bilayer Systems of the MD Simulation of the Double Layer Models of Aβ segmental polymorphism.

ΔEele, nonsolvent electrostatic potential energy; ΔGPB, electrostatic contributions to the solvation free energy calculated with Poisson-Boltzmann equation; GSA, nonpolar contributions to solvation free energy; ΔEvdw, van der Waals potential energy; ΔGbinding, calculated binding free energy. Data are shown as mean (Std Err of Mean). ΔGbinding = ΔEvdw + ΔEele + ΔGsol; ΔGsol = ΔGPB + ΔGSA.