Fig. 6.

(A) $\mathrm{\Delta }{G}_{\text{bind}}^{\text{residue}}$ of SARS-CoV-2 S1 CendR toward the binding of NRP1 b1 domain. (B) Representative structures showing the ligand orientation in NRP1 b1 domain drawn from the last MD snapshot. The contributing residues involved in the binding of CendR are colored according to its $\mathrm{\Delta }{G}_{\text{bind}}^{\text{residue}}$ values, where the highest to lowest free energies are shaded from white to red, respectively. (C) Percentage of H-bond occupation of NRP1 contributing to the binding of CendR peptide. (D) RMSD of each residue of CendR peptide along the simulation time.