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Last pose molecular contact profiling First, to determine the stability of docked ligands in the catalytic pocket of the mh-Tyr enzyme, the last poses were extracted from respective 100 ns MD simulation trajectories and analyzed for the displacement of docked ligands against the respective initial docked poses
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Sikiric P, Seiwerth S, Brcic L, et al
Island biogeography theory and the gut: why taller people tend to harbor more diverse gut microbiomes
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