Fig. 4. (A) Snapshot of the structure of an obtained Au25(P12)8(C5)10 cluster with 45% P12 feed ratio: blue indicates C5; red indicates P12; yellow indicates thiol groups; pink indicates gold atoms. (B) Left: snapshot of the GNC interaction with WTA; right: scaled-up illustration of the interacting part. (C) Interaction energy between GNC and WTA. Coul represents Coulomb force, while VDW denotes van der Waals force. (D) Number of hydrogen bond interactions between GNC and WTA units during a 5 ns simulation.
