Fig. 6 | Scientific Reports

Fig. 6

From: Structure based drug design and machine learning approaches for identifying natural inhibitors against the human αβIII tubulin isotype

Fig. 6

Free energy landscape of αβIII tubulin and αβIII tubulin with drugs. Each FEL funnel of all the systems attains narrow edges (deep purple colour) over time which indicates the conformational stability of the tubulin with or without drug compounds. Along with the FEL funnel, contour map plot is also shown for each system. Here, (A) shows the FEL of αβIII tubulin, (B) FEL of αβIII- ZINC03847075 complex, (C) FEL of αβIII-ZINC12889138, (D) FEL of αβIII- ZINC08952577 complex, and (E) FEL of αβIII-ZINC08952607 complex.

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