Figure 2. Molecular dynamics simulation of PI3KCG complexed with CB-006-3: (a) Ligand to protein Root Mean Square Deviation (RMSD) for 100 ns trajectories. (b) Number of hydrogen bonds between CB-006-3 and PI3KCG for 100 ns simulation. (c) Snapshots taken at different time points of 0 to100 ns simulation showing binding modes of CB-006-3 with PI3KCG.
