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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: Adverse drug reactions triggered by the common HLA-B*57:01 variant: virtual screening of DrugBank using 3D molecular docking

Fig. 10

Protein–ligand interaction fragment histograms and 2D-plots for 20 ns molecular dynamic simulation of HLA-B*57:01 with ligand and co-binding peptide P3. a Abacavir as ligand, b acyclovir as ligand. Hydrogen bond interactions are represented as green bars, water-bridges are blue bars, and hydrophobic interactions (including π–π stacking) are purple bars

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