title: [Integral equations of the theory of liquid in the study of hydration of macromolecules].
abstract: An efficient numerical algorithm for solving integral equations of the theory of liquid in the RISM approximation for infinitely diluted solution of macromolecules with a large number of atoms is proposed. The algorithm is based on applying the non-stationary interactive methods for solving systems of linear algebraic equations. Using this technique we have calculated the solvent-solute atom-atom correlation functions for short fragment of DNA duplex of varying length in aqueous solution.
authors.forename: D A
authors.initials: DA
authors.lastname: Tikhonov
authors.forename: R V
authors.initials: RV
authors.lastname: Polozov
authors.forename: A V
authors.initials: AV
authors.lastname: Gorelov
authors.forename: E G
authors.initials: EG
authors.lastname: Timoshenko
authors.forename: Iu A
authors.initials: IuA
authors.lastname: Kuznetsov
authors.forename: L A
authors.initials: LA
authors.lastname: Panchenko
authors.forename: K A
authors.initials: KA
authors.lastname: Dawson
mesh_terms: D001704:Biopolymers / Q000737:chemistry*; D004247:DNA / Q000737:chemistry; D046911:Macromolecular Substances; D008433:Mathematics; D008962:Models, Theoretical; D012996:Solutions; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
chemical_list: D001704:Biopolymers; D046911:Macromolecular Substances; D012996:Solutions; D014867:Water; D004247:DNA