Impact of temperature and pH value on the stability of hGHRH: An MD approach

In this work, we apply molecular dynamics to study the stability of growth hormone releasing factor (GHRH), in aqueous solution. The instabilities of the fragment GHRH(1-29) are well known from experimental studies and we performed simulations in order to verify the capability of molecular dynamics to predict unstable behaviours. We checked the occurrence of dynamical transitions of peptide conformation that increase or reduce chain flexibility and solvent exposure, depending on the macroscopical parameters pH and temperature.