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Insight into molecular dynamics simulation of BRAF(V600E) and potent novel inhibitors for malignant melanoma

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Academic year: 2020

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Figure

Figure 1 ramachandran plot of homology modeling for BraF(V600e)-modeled structure.Notes: Number of residues in favored region (~98.0% expected): 207 (81.8%)
Table 1 Dock score and quantitative structure–activity relationship values
Figure 3 scaffold (left) and binding sites (right): (A) aknadicine, (B) 16beta-hydroxy-19s-vindolinine N-oxide, (C) the control, sB-590885.Note: Key position of the binding sites was set at the residues 530–535.
Figure 4 (Continued)
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