Fig. 1: Function and structure of TMPRSS2. | Nature Communications

Fig. 1: Function and structure of TMPRSS2.

From: Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor

Fig. 1

a TMPRSS2 role in Spike (S) protein-driven entry of SARS-CoV-2 into host cells. b Important structural features of TMPRSS2. Catalytic triad residues are depicted in black. Labels of the features included in our target-specific score are in red. c, d Structures belonging to receptor ensemble from apo and holo MD simulations.

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