title: Water Dynamics in the Hydration Shells of Biomolecules.
abstract: The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water.
authors.affiliation: École Normale Supérieure, PSL Research University, UPMC Univ Paris 06, CNRS , Département de Chimie, PASTEUR, 24 rue Lhomond, 75005 Paris, France.|Sorbonne Universités, UPMC Univ Paris 06, ENS, CNRS , PASTEUR, 75005 Paris, France.
authors.forename: Damien
authors.identifier: http://orcid.org/0000-0001-5706-9939
authors.initials: D
authors.lastname: Laage
authors.affiliation: Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie , D-12489 Berlin, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Elsaesser
authors.affiliation: École Normale Supérieure, PSL Research University, UPMC Univ Paris 06, CNRS , Département de Chimie, PASTEUR, 24 rue Lhomond, 75005 Paris, France.|Sorbonne Universités, UPMC Univ Paris 06, ENS, CNRS , PASTEUR, 75005 Paris, France.|Department of Chemistry and Biochemistry, University of Colorado , Boulder, Colorado 80309, United States.
authors.forename: James T
authors.identifier: http://orcid.org/0000-0003-2683-0304
authors.initials: JT
authors.lastname: Hynes
mesh_terms: D004247:DNA / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010743:Phospholipids / Q000737:chemistry*; D011506:Proteins / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D010743:Phospholipids; D011506:Proteins; D014867:Water; D004247:DNA