'Unfreezing' molecular proteins to discover their functions in action
Published Date: 12/7/2021
Source: phys.org
A team of researchers from Weill Cornell Medical School's Department of Physiology and Biophysics has developed a new computational technique to conduct molecular dynamics simulations of proteins at the specific concentration of hydrogen ions (pH) at which they function. Called the Equilibrium Constant pH (ECpH) method, it presents a significant advance in the ability of computational simulations to more accurately represent the way in which a human cell's membrane proteins look and how they function under different conditions encountered in the life of the cell.