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 nature of the electrostatic energy of the TS and IS of the reaction of Smini. The figure presents the result of the FEP charging process for each system in water and in the protein and explains why the difference between the charging in the protein and in water is larger for the TS. As seen from the figure, the uncharged TS is not free to rotate and thus has a significant preorganization contribution, whereas the uncharged state of the IS is free to rotate in the active site.
