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Figure 8.
Figure 8. Some characteristic distances in the MD
simulations of the SARS-CoV Mpro dimer at (a) pH 6.0, (b) pH
7.6, (c) pH 8.0, and (d) pH 5.0. For each simulation, the
distance between Glu166 and His163, Glu166 and His172, Glu166
and Ser1(N) of the other monomer in the dimer, and Phe140
(center of mass of phenyl ring) and His163 (center of mass of
imidazole ring) are shown. The shorter of the two distances to
the carboxylate oxygen atoms of Glu166, Oe1 and Oe2, is
displayed. Green, monomer A; blue, monomer B.
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