Function and Engineering of a Food Enzyme Under Coupled High-Temperature–Pressure Conditions: Insights from Molecular Dynamics Simulation and Experimental Validation

The relationship between protein structure and function is intrinsically interconnected, as the structure of a protein directly determines its functional properties. To investigate the effects of temperature and pressure on protein function, this study employed ethyl carbamate (EC) hydrolase as a model food enzyme and conducted molecular dynamics (MD) simulations under varying temperature and pressure levels to elucidate its structure– function relationship. By systematically analyzing the...