Decomposition of the average binding energy of the highest populated tetrameric oligomers for rIAPP and hIAPP.
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Evdw, and Eelec are the van der Waals and electrostatic binding terms. Egb and Esurf are the solvation energies of polar and nonpolar residues, calculated by Amber 9 using the Generalized Born model. Ep and Enp are the sums of polar energy (Eelec+Egb) and nonpolar energy components (Evdw+Esurf), respectively. Etotal is the sum of Ep and Enp. Error bars represent standard deviations over 100 configurations extracted from the global minimum indicated by the free energy landscapes.
创建时间:
2015-12-02



