Fig. 9From: Adverse drug reactions triggered by the common HLA-B*57:01 variant: virtual screening of DrugBank using 3D molecular dockingMeasured RMSD for 20 ns molecular dynamic simulations of abacavir (red) and acyclovir (blue) when complexed with HLA-B*57:01 protein, ligand, and peptide P3 (PDB: 3UPR). a RMSD fluctuation of HLA-B*57:01 protein with respect to ligand, b RMSD fluctuation of peptide P3 with respect to ligand, c ligand fluctuation inside the pocketBack to article page