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.
(a) Binding geometries of citrate on top of an Au (111) surface at the atomistic level. (b) PMF profile of the adsorption of one citrate molecule on an Au (111) surface with the OPLS force field. (c) PMF profile of the adsorption of one citrate molecule on an Au NP (diameter of ∼2.5 nm) with the Martini M2 model as a function of the distance from the NP COM. In both cases, the shaded area is the error on the PMF as calculated from the bootstrapping of trajectories.
