INVESTIGATION OF HISTONE-DNA BINDING ENERGY AS A FUNCTION OF DNA UNWRAPPING FROM NUCLEOSOME USING MOLECULAR MODELING
Abstract
The present study contributes to the understanding of DNA compaction in cell nucleus at the nucleosomal level. The interactions between DNA and histones can be described in terms of a free energy profile, DNA binding affects key processes of cell life including replication and transcription. MM/PBSA method was used to calculate free energy profile during DNA unwrapping from histone octamer. Our results are in good agreement with experimental data published earlier. The developed approach can be applied to study the effects of post-translational modifications of histones and histone variants on nucleosome stability, which is important for understanding the mechanisms of transcriptional regulation in chromatin.
Keywords
About the Authors
A. K. Gribkova
Lomonosov Moscow State University
Russian Federation
Russian Federation
Department of Bioengineering, School of Biology
Leninskiye gory 1–12, Moscow, 119234, Russia
G. A. Armeev
Lomonosov Moscow State University
Russian Federation
Russian Federation
Department of Bioengineering, School of Biology
Leninskiye gory 1–12, Moscow, 119234, Russia
A. K. Shaytan
Lomonosov Moscow State University
Russian Federation
Russian Federation
Department of Bioengineering, School of Biology
Leninskiye gory 1–12, Moscow, 119234, Russia
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Review
For citations:
Gribkova A.K., Armeev G.A., Shaytan A.K. INVESTIGATION OF HISTONE-DNA BINDING ENERGY AS A FUNCTION OF DNA UNWRAPPING FROM NUCLEOSOME USING MOLECULAR MODELING. Vestnik Moskovskogo universiteta. Seriya 16. Biologiya. 2017;72(3):164-168. (In Russ.)
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