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. 2016 Jan 18;6:19500. doi: 10.1038/srep19500

Figure 1.

Figure 1

(a,b) NMR structures of GB1p and Trp-cage (the side-chains involved in the hydrophobic core cluster of protein are shown with yellow colored licorice representation). (c) One-dimensional free energy profile at 300 K as the function of the backbone RMSD with respect to the experimentally determined folded structure for GB1p in water measured by FF99SB-ILDN and FF96 force fields. (d) One-dimensional free energy profile at 300 K as the function of the backbone RMSD with respect to the experimentally determined folded structure for Trp-cage in water measured by FF99SB-ILDN and FF94 force fields.