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.
MD simulations result of the complex 1H1S-I60. (A) The total energy plot. (B) The RMSDs plot. (C) The superimposition of the initial docked structure (red) of complex 1H1S-I60 and the average structure (green) of MD simulation of complex 1H1S-I60. (D) The conformation of I60 after MD simulations. Hydrogen bonds were shown as yellow dashed lines and non-polar hydrogens were removed for clarity.
