Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Free energy surfaces at 300K for the backbone conformation of Ala5 in the Ala10 peptide calculated from 100ns of REMD. Energies are in kcal/mol, with the lowest free energy assigned a value of 0. TIP3P and GBn result in similar free energies for the α, β and polyproline II basins, while OBC GB shows a strong preference for α-helix.
