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. 2021 Jan 25;25(3):1889–1904. doi: 10.1007/s11030-021-10183-w

Fig. 6.

Fig. 6

Trajectory analysis for Janus kinase 3 (JAK3) (PDB: 6AAK) bound to Saikosaponin-B4 and Saikosaponin-I; a root-mean-square deviation (RMSD), b root-mean-square fluctuations per amino acid (aa) (RMSF) and c root-mean-square deviation for each ligand (Lig-RMSD). Interaction analysis of the Janus kinase 3 (JAK3) (PDB: 6AAK) bound to Saikosaponin-B4 during the molecular dynamics simulation; d equilibrated structure of Saikosaponin_B4 (green) bound to the JAK3 before MDS production phase; e Saikosaponin_B4 (purple) bound to the JAK3 post-MDS production phase; f receptor surface analysis; g ligand analysis. Interaction analysis of the Janus kinase 3 (JAK3) (PDB: 6AAK) bound to Saikosaponin-I during the molecular dynamics simulation; h equilibrated structure of Saikosaponin_I (green) bound to the JAK3 before MDS production phase; i Saikosaponin_I (purple) bound to the JAK3 post-MDS production phase; j receptor surface analysis; k ligand analysis