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. 2021 Nov 18;6(47):32043–32071. doi: 10.1021/acsomega.1c04817

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© 2021 The Authors. Published by American Chemical Society

Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).

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Three-dimensional representation of molecular docking analysis between the predicted epitope of MARV NP (A) FDERRHVAM, (B) RPMNRPTAL, and (C) positive control to the groove of the HLA-B*14:02 allele. The interacting residues are displayed as green balls and sticks, conventional hydrogen bonds are displayed as green lines, pi–pi/pi–alkyl stacking bonds are displayed as pink lines, pi–sigma bonds are displayed as violet lines, carbon–hydrogen bonds are displayed as white lines, unfavorable bumps are displayed as red lines, and attractive charges are displayed as gold lines.