Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies
Fig 8
Residues stronger than -1 kcal/mol are specified for inhibitor-residue interactions determined using the residue-based free energy decomposition method.
(A) the AURKA-HPM complex, (B) AURKB-HPM complex, (C) AURKA-MPY complex, (D) AURKB-MPY complex, (E) AURKA-VX6 complex and (F) AURKB-VX6 complex.