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.
The two pathways for calculating ΔΔG bind (l51c → l51d) and ΔΔG bind (l51e → l51f) of the FXa dataset. Path 1: only a single hydrogen is mutated into a dummy atom (l51c, and l51e, l51f); then, as part of making the CC equivalent, the carbon it is bound to becomes a nitrogen atom (l51d and l51f). Path 2: the dummy region encompasses the compete aromatic ring plus the dimethylammoniomethyl group.
