Pressure Denaturation of Proteins and Peptides Studied by Molecular Dynamics Simulations

Abstract

Most proteins denature as pressure increases. However, some peptides such as AK16 peptide and C peptide have more α-helix structures at high pressure than at atmospheric pressure. We recently reproduced this pressure dependence by molecular dynamics simulations for the first time and revealed the reason why these peptides form more α-helix structures at high pressure. We explain the pressure denaturation of a usual protein and this abnormal pressure behavior of these peptides.