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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking study

Fig. 6

Binding mode interactions of abacavir at B*57:01 using 3VRI: a Native abacavir binding mode from X-ray crystal 3VRI with P1; b Self-docked abacavir using SP scoring function with P1; c Self-docked abacavir using SP scoring function without P1. B*57:01 represented as follows: Helix (cyan), sheet (magenta), and loops (salmon). Molecular interactions colored as follows: side chain H-bonding (dark blue), backbone H-bonding (red), and π–π stacking (green)

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