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Fig. 7 | Journal of Cheminformatics

Fig. 7

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

Fig. 7

Binding mode analysis of the most dissimilar DrugBank compound, DB00631 (Purple), from abacavir (Yellow) identified using XP + P1 screening. a Superimposition of abacavir and DB00631 from XP + P1 screening with P1 shown in red, b XP + P1 binding mode of DB00631, c Superimposition of abacavir and DB00631 from XP + P2 screening with P2 shown in green, d XP + P2 binding mode of DB00631, e Superimposition of abacavir and DB00631 from XP + P3 screening with P3 shown in blue, f XP + P3 binding mode of DB00631

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