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Superposition and comparison of the ligand poses with the lowest EvoEF2 scores for all 13 drugs. TMPRSS2 is shown in the green cartoon model, with residue Asp435 depicted in the yellow ball-and-stick model. The zoom-in inset shows that guanidinobenzoyl or aminidinobenzoyl can form salt bridge interactions with the Asp435 carboxyl group (shown in the dashed box).
