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.
Guest-host binding simulation with SGMD (Varady et al 2002). Starting Conformations for SGMD (SGMD #1 and #2) and Corresponding MD Simulations (MD #3 and #4). For clarity, only heavy atoms are shown. The six benzyl alcohol molecules are either all around the “rim” of the host (top) or four around the rim, one “below” and one “above” β-cyclodextrin (bottom).
