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.
Scatter plots of calculated versus experimental binding free energies. The areas shaded in gray indicate the 1 and 2 kcal/mol error boundaries. A linear fit to the data is shown as a black line, whereas a dashed line shows the identity line representing a perfect linear fit between experiment and calculations.
