Life on Earth has been found in many extremes of pressure P and temperature T. In addition, extremes of P and T are used in sterilization and food preservation. Our approach is to use molecular dynamics simulations, combined with experimental data, to understand how the proteins necessary for life can function at extremes. Understanding adaptations in enzymes to function at these extremes can help us understand protein plasticity as a material property. The adaptations in dihydrofolate reductase (DHFR) from extremophilic microbes are described and their effects on local and collective motions under different conditions are examined.

Using pressure and temperature to probe enzyme plasticity

ACS Fall 2021

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