Pressure effects on collective density fluctuations in water and protein solutions

Significance This is a combined study, which employs neutron scattering experiments and molecular dynamics simulations to compare high pressure-induced effects on collective properties of protein solutions and bulk water, to observe changes in the HB network structure of protein hydration water upon compression. Our experimental results reflect distinct properties of water at the protein–water interface, while at the same time atomistic molecular dynamics simulations allow us to analyze its pressure-dependent structural changes. This study therefore provides insights that allow establishing measurements of pressure-induced variations in collective dynamics as a probe to characterize biomolecular systems as complex as entire cells.