Fig. 2: Identification of hotspot residues (highlighted in red and listed in the text box) on the binding sites of the RBD to S protein by Fd-DCA.
From: Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein
The orange stick-ball model represents the predicted low-energetic bound conformations of fragment-sized molecular probes introduced in Fd-DCA. The dark green surface model is the RBD ___domain of S protein.
