Computational study of inelastic neutron scattering vibrational spectra of water clusters and their relevance to hydration water in proteins

The combination of structural information of hydration water from neutron protein crystallography with much more sophisticated computational methods than used herein should lead to a much more detailed picture of the hydration of proteins. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo.