Fig. 1.

The wild type SARS-CoV-2 spike protein and ACE2 complex in (a) the ribbon model (the red and green parts highlight ACE2 and spike protein, respectively), (b) the corresponding all-atom model with a total of 13677 atoms (color-coded according to their corresponding element types, namely, C, N, O, and S.), and (c) the corresponding coarse-grained model for MARTINI force field (the red and green parts highlight ACE2 and spike protein, respectively).