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.
A: Root-mean-square fluctuation (RMSF) of the ligand (the Met-Phe substrate as an example) along the sMD trajectories. B: The various orientation of the Met-Phe substrate in the water reservoir. The part of the C-terminal channel involving the water reservoir is shown in the surface-like representation.
