Allosteric regulatory control in dihydrofolate reductase is revealed by dynamic asymmetry.

Abstract excerpt

We investigated the relationship between mutations and dynamics in Escherichia coli dihydrofolate reductase (DHFR) using computational methods. Our study focused on the M20 and FG loops, which are known to be functionally important and affected by mutations distal to the loops. We used molecular dynamics simulations and developed position-specific metrics, including the dynamic flexibility index (DFI) and dynamic...

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• Escherichia coli
• Escherichia coli Proteins
• Molecular Dynamics Simulation
• Mutation
• Tetrahydrofolate Dehydrogenase