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. Author manuscript; available in PMC: 2020 May 8.
Published in final edited form as: Chem Rev. 2019 Apr 12;119(9):6086–6161. doi: 10.1021/acs.chemrev.8b00608

Figure 8.

Figure 8

(A) CG representations of common lipids in MARTINI,148 overlaid on the corresponding AA topologies (hydrogen atoms are omitted for clarity). The CG beads are shown as transparent vdW spheres. Each bead represents about four heavy atoms with the associated hydrogen atoms. (B) Schematic illustration of the rugged and complex energy landscape of an AA model (left) compared to the smooth surface in a CG model (right). The smoothening of the CG energy landscape helps to avoid trapping in the local energy minima while searching for the global minimum. Adapted with permission from ref 149. Copyright 2016 American Chemical Society.