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(I) 3D representation of selected hydrogen-bond interaction at RBD (blue) and ACE2 (green) interface proximal to bazedoxifene (yellow stick) binding site. (ii-v)Time-dependent distance plots of RBD/ACE2, and selected residue pairs (see Y-axes). (D). (i) Energy contribution of amino acids (ACE2 = green points, RBD = blue points) to bazedoxifene binding based on MMPBSA energy calculations; a 3D projection of the most contributing amino acids based on 14.0 kj/mol energy cutoff.
