Figure 9 | Scientific Reports

Figure 9

From: Pinpointing top inhibitors for GSK3β from pool of indirubin derivatives using rigorous computational workflow and their validation using molecular dynamics (MD) simulations

Figure 9

Post MD simulation assessment showing (a) total contacts, (b) amino acid interaction timeline, (c) percent interaction profile and (d) interaction fraction profile, (e) Protein–Ligand RMSD and (f) Protein RMSF of GSK3β (PDB ID: 6Y9R)—3-[2-hydroxy-3-[(3-hydroxyphenyl)iminomethyl]-1H-indole-5-carbonyl]benzamide (Rank 3) complex.

Back to article page