Figure 9.
Molecular dynamics simulation of JAK1–naringenin and STAT1–naringenin complexes. (A) RMSD profiles; (B) radius of gyration (Rg); (C) solvent-accessible surface area (SASA); (D) root-mean-square fluctuation (RMSF) per residue; (E) number of hydrogen bonds over time; and (F) MM/PBSA per-residue binding energy decomposition.
