Research Paper Volume 15, Issue 24 pp 14764—14790
Conjoint research of WGCNA, single-cell transcriptome and structural biology reveals the potential targets of IDD development and treatment and JAK3 involvement
Figure 9. Results of molecular dynamics simulation of these two compounds. (A) Orthorhombic box with an explicit periodic boundary solvation water model. (B–D) Energy values of ZINC000014952116-JAK3, ZINC000003938642-JAK3 complex, and ZINC000072131515-JAK3 complex. (E) RMSD values of these three compounds.