Theoretical account of the 'spine of hydration' in the minor groove of duplex d(CGCGAATTCGCG).
J Biomol Struct Dyn
; 7(5): 1161-5, 1990 Apr.
Article
en En
| MEDLINE
| ID: mdl-2361004
ABSTRACT
The hydration of B-form DNA involves a novel sequence of ordered water molecules in the minor groove known as the spine of hydration. The positions of the ordered waters in the AATT region have been determined and indicate water bridges between the A-N3 and T-O2 acceptor sites. Theoretical calculation on hydration based on Monte Carlo simulation show that the water bridges are more sensitive to the prescription for intermolecular potentials than the choice of canonical vs. crystallographic geometry. The GROMOS force field and the SPC model for water are shown to give an accurate theoretical account of the experimental data.
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Banco de datos:
MEDLINE
Asunto principal:
ADN
/
Conformación de Ácido Nucleico
Tipo de estudio:
Health_economic_evaluation
Idioma:
En
Revista:
J Biomol Struct Dyn
Año:
1990
Tipo del documento:
Article