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.
Cavity-ligand system in explicit water with axes marked. Red: fullerene shaped ligand atoms. Orange: cavity atoms that interact with the ligand and with water molecules. Blue: wall atoms. The water molecules are not shown for clarity. See Section III and the supplementary material for corresponding interaction potentials and further details.29
