title: Base pair opening pathways in B-DNA.
abstract: Molecular modeling is used to study the opening pathways of bases within a B-DNA oligomer. It is demonstrated that many open states are possible for a single base pair, although a preference for opening towards the major groove of the double helix is found. In addition we show that opening is strongly influenced by the nature of the base involved and is also coupled in many cases to DNA bending.
authors.affiliation: Institute de Biologie Physico-Chimique, Paris, France.
authors.forename: J
authors.initials: J
authors.lastname: Ramstein
authors.forename: R
authors.initials: R
authors.lastname: Lavery
mesh_terms: D001482:Base Composition; D003198:Computer Simulation; D004247:DNA / Q000502:physiology*; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009838:Oligodeoxyribonucleotides; D011067:Poly dA-dT; D011089:Polydeoxyribonucleotides
chemical_list: D009838:Oligodeoxyribonucleotides; D011089:Polydeoxyribonucleotides; C016023:oligo(dA-dT); D011067:Poly dA-dT; D004247:DNA