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- W2188289675 abstract "SUMMARY Motivation: A context dependent conformational preference and deformability of DNA plays as a significant factor for a DNA site recognition by a DNA-binding regulatory and nucleosome proteins. An extraction of context-dependent conformational and deformability parameters from static X-ray structures of crystals of DNA duplexes includes artifacts due to a crystal packing. A molecular dynamic simulation of a large series of 14 base pairs DNA duplexes of different sequences in water solution at physiological conditions have been done. The context-dependent conformational parameters are extracted from the simulated trajectories of thermal fluctuations of three- dimensional structures of DNA duplexes . It is found that helical parameters of pair steps TA, TG, CG are anomalous and sharply neighbor-context dependent. Results: molecular modeling provide data to expand bioinformatics data bases beyond the capacity of experimental methods and provide a new knowledge." @default.
- W2188289675 created "2016-06-24" @default.
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- W2188289675 date "2006-01-01" @default.
- W2188289675 modified "2023-09-27" @default.
- W2188289675 title "MODELING OF DATA BASE OF CONTEXT-DEPENDENT CONFORMATIONAL PARAMETERS OF DNA DUPLEXES" @default.
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- W2188289675 hasPublicationYear "2006" @default.
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