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. Author manuscript; available in PMC: 2012 Jul 1.
Published in final edited form as: Comput Phys Commun. 2011 Jul 1;182(7):1455–1462. doi: 10.1016/j.cpc.2011.03.014

Figure 3.

Figure 3

An isosurface of the electrostatic potential (0.5 e/Å) around the Arc repressor protein (PDB ID: 1MYK) from Coulomb’s potential (a), and from a 70-bead CG model in the monopole (Lmax = 0) (b) and dipole (Lmax = 1) order (c). The dark-grey surface represents the molecular surface generated with a rolling ball [25, 26, 27] of 2Å. About 2500 control points were selected from a closed surface shifted by 2Å in the outward direction from the molecular surface and used to generate the CG model as described in the text.