title: Hydration forces between parallel DNA double helices: computer simulations.
abstract: We have performed two molecular dynamics computer simulations of two 10-base-pair segments of DNA molecules immersed in water. The goal of these simulations is to study the structural and dynamical properties of water between the DNA molecules. We have observed water ordering next to DNA surfaces. Existence of such ordering was proposed earlier by Marcelja and Radic [Marcelja, S. & Radic, N. (1976) Chem. Phys. Lett. 42, 129-130] to explain strong hydration forces between macromolecular surfaces.
authors.affiliation: Department of Chemistry, University of North Carolina, Chapel Hill 27599.
authors.forename: M R
authors.initials: MR
authors.lastname: Reddy
authors.forename: M
authors.initials: M
authors.lastname: Berkowitz
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003198:Computer Simulation; D004247:DNA; D046911:Macromolecular Substances; D011089:Polydeoxyribonucleotides; D012964:Sodium; D014867:Water
chemical_list: D046911:Macromolecular Substances; D011089:Polydeoxyribonucleotides; D014867:Water; C019530:poly(dC-dG); D004247:DNA; D012964:Sodium