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Fig. 9 | BMC Methods

Fig. 9

From: De Novo Rational design of peptide-based covalent inhibitors via mapping of complementary binding site residues – technical protocol and case study on KRASG12C and BTK481C

Fig. 9

Graphical plots of (A) RMSD and (B) RMSF of KRASG12C-RVKDX (pink), KRASG12C-HVKXR (green), KRASG12C-XLKDH (orange), KRASG12C-Sotorasib (magenta), and KRASG12C-Adagrasib (purple). Graphical plots of (C) RMSD and (D) RMSF of BTK481C-XDYMA (orchid), BTK481C-XDYVL (cornflower blue), BTK481C-QDWXL (salmon), BTK481C-Zanubrutinib (chartreuse green), BTK481C-Acalabrutinib (yellow), and BTK481C-Ibrutinib (cyan). Computations were made over 200 ns

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BMC Methods

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