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.
Illustration of the ONIOM (QM/MM) fully bound active site model used: (a) the low or molecular mechanics (MM)-layer is shown in wire while the high or quantum mechanics (QM)-layer is shown in tube format; (b) those moieties within the inner circle were included within the QM-region, while those within the outer circle represent the residues contained in the MM-layer of the QM/MM model.
