title: Phosphate shielding under different conditions results in an enhanced DNA duplex stability.
abstract: Neutralization of charge of the phosphodiester groups in DNA and the significance for transfer of genetic information will be demonstrated. Theoretical models based on proton shielding are elaborated with ab initio level calculations for a Watson-Crick-type dimer. These results are compared with molecular mechanics studies for duplexes of a hexamer with Rp and Sp phosphate-methylated backbones.
authors.forename: H M
authors.initials: HM
authors.lastname: Buck
mesh_terms: D000838:Anions; D020029:Base Pairing; D002412:Cations; D004247:DNA / Q000737:chemistry*; D019281:Dimerization; D006860:Hydrogen Bonding; D046911:Macromolecular Substances; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides / Q000737:chemistry; D010100:Oxygen / Q000737:chemistry; D010710:Phosphates / Q000737:chemistry / Q000494:pharmacology*; D010957:Plasmids / Q000378:metabolism; D011108:Polymers / Q000737:chemistry; D013816:Thermodynamics; D014965:X-Rays
chemical_list: D000838:Anions; D002412:Cations; D046911:Macromolecular Substances; D009838:Oligodeoxyribonucleotides; D010710:Phosphates; D011108:Polymers; D004247:DNA; D010100:Oxygen