[Hydration of a fragment of the B-form of DNA duplex: d(GGGGG). A method of integral equations of the theory of liquid].
Based on the numerical algorithm proposed by us in [1] for solving integral equations of the theory of liquids in the RISM approximation we calculate all of the solvent-solute atom-atom correlation functions for a fragment of the DNA duplex d(GGGGG) in infinitely diluted aqueous solution. The obtained results are compared with available experimental data and results from computer simulations.
Tikhonov
D A
DA
Polozov
R V
RV
Gorelov
A V
AV
Timoshenko
E G
EG
Kuznetsov
Iu A
IuA
Panchenko
L A
LA
Dawson
K A
KA
D004247:DNA / Q000737:chemistry*; D008433:Mathematics; D008962:Models, Theoretical; D009692:Nucleic Acid Heteroduplexes / Q000737:chemistry*; D009841:Oligonucleotides / Q000737:chemistry; D012996:Solutions; D014867:Water / Q000737:chemistry*
D009692:Nucleic Acid Heteroduplexes; D009841:Oligonucleotides; D012996:Solutions; D014867:Water; D004247:DNA