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.
Conformational distributions from RMSD-based clustering analysis. QM-only results shown in red; QM/MM results shown in gray/black. (a) Results from dynamics at the TSD state. (b) Results from dynamics at the ADP state. Peaks A, B, E and F correspond to TSD conformations; peaks C, D, G and H correspond to ADP conformations.
