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- W1973435665 abstract "Investigations of spontaneous, i.e. not forced, B-DNA's B(I)<==>B(II) substate transitions are carried out on the d(CGCGAATTCGCG)2 EcoRI dodecamer sequence using Molecular Dynamics Simulations. Analysis of the resulting transition processes with respect to the backbone angles reveals concerted changes not only for backbone angles epsilon, zeta, and beta, but also for the 5'-delta and 5'-chi angles. For alpha and delta inside the interconverting base step, a change is seen in short lived B(II) conformers. With respect to base morphology distinct changes are observed for buckle, propeller twist, shift, roll and twist, as well as x-displacement and tip. The base mainly involved in the changes is identified as the base preceding the interconverting phosphate. Altogether single B(I)<==>B(II) interconversions result only in local distortions represented by the larger spread of most parameters. Comparison of the atomic positional fluctuations derived from the simulation with those obtained from the static X-ray structure results in striking similarities." @default.
- W1973435665 created "2016-06-24" @default.
- W1973435665 creator A5021473169 @default.
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- W1973435665 creator A5055747656 @default.
- W1973435665 creator A5061582485 @default.
- W1973435665 creator A5062296361 @default.
- W1973435665 date "1999-10-01" @default.
- W1973435665 modified "2023-09-24" @default.
- W1973435665 title "Helix Morphology Changes in B-DNA Induced By Spontaneous B<sub>I</sub>⇌B<sub>II</sub>Substate Interconversion" @default.
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- W1973435665 doi "https://doi.org/10.1080/07391102.1999.10508355" @default.
- W1973435665 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/10563572" @default.
- W1973435665 hasPublicationYear "1999" @default.
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