Figure 5
From: Computational drug repurposing of Akt-1 allosteric inhibitors for non-small cell lung cancer
Protein interactions with the Indacaterol monitored during the course of trajectory (A) Timeline illustration of total specific contacts that several interacting residues makes with a ligand (B) Protein–ligand contacts described as histogram (C) Various protein- ligand interactions that stays for more than 30.0% of the simulation time (D) Various ligand properties in the form of ligand RMSD, radius of gyration (rGyr), molecular surface area (MolSA), solvent‐accessible surface area (SASA) and polar surface (PSA) expressed in Å during the 100 ns of the MD simulation.
