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B-DNA Structure and Stability: The Role of Nucleotide Composition and Order.
Nieuwland, Celine; Hamlin, Trevor A; Fonseca Guerra, Célia; Barone, Giampaolo; Bickelhaupt, F Matthias.
Afiliación
  • Nieuwland C; Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam (The, Netherlands.
  • Hamlin TA; Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam (The, Netherlands.
  • Fonseca Guerra C; Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam (The, Netherlands.
  • Barone G; Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2300 CC, Leiden (The, Netherlands.
  • Bickelhaupt FM; Dipartimento di Scienze e Tecnologie Biologiche, Chimiche e Farmaceutiche, Università degli Studi di Palermo, Viale delle Scienze, Edificio 17, 90128, Palermo, Italy.
ChemistryOpen ; 11(2): e202200013, 2022 02.
Article en En | MEDLINE | ID: mdl-35103418
Invited for this month's cover are the groups of Célia Fonseca Guerra at the Vrije Universiteit Amsterdam and Leiden University, Giampaolo Barone from the Università degli Studi di Palermo, and F. Matthias Bickelhaupt at Vrije Universiteit Amsterdam and Radboud University Nijmegen. The cover picture shows the four primary interaction components (hydrogen bonding, cross-terms, base stacking, and solvation) that determine the stability of B-DNA duplexes. Quantum chemical analyses identify an interplay between the stabilizing hydrogen bonds between nucleotides that drive the formation of the DNA double-strand, and the destabilizing loss of stacking interactions within individual strands combined with partial desolvation. The sequence-dependence in the duplex stability originates mainly from the cross-terms, which can be attractive or repulsive. Read the full text of their Research Article at 10.1002/open.202100231.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: ADN Forma B Límite: Humans Idioma: En Revista: ChemistryOpen Año: 2022 Tipo del documento: Article País de afiliación: Países Bajos Pais de publicación: Alemania
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: ADN Forma B Límite: Humans Idioma: En Revista: ChemistryOpen Año: 2022 Tipo del documento: Article País de afiliación: Países Bajos Pais de publicación: Alemania