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. 2019 Dec 13;5(12):eaax0024. doi: 10.1126/sciadv.aax0024

Fig. 1. Intraprotein vdW interaction energy along the folding trajectory of Fip35-WW in solvated geometry.

Fig. 1

Top: vdW energetics as obtained with MBD and the pairwise approaches vdW(TS) and vdW(TS)@SCS, i.e., vdW(TS) with self-consistent screening. RMSD from native state shown in grey. Bottom: Beyond-pairwise contributions, as given by the difference between many-body and pairwise treatment. For a more comprehensive version, see Supplementary Materials.