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Dissertation/Thesis Abstract

The dynamics of nucleosome systems and the posttranslational modification effects: Applications of molecular dynamics simulation in structural biology
by Liu, Haiguang, Ph.D., University of California, Davis, 2009, 206; 3358973
Abstract (Summary)

The functions of biomolecules are associated with specific structures. Experimental methods can be used to determine native structures, but can hardly provide high-resolution dynamic information of the molecules, due to the limitation of current technologies. To fill the gap, computational methods, particularly Molecular Dynamics simulations, are applied to study the dynamics of molecules based on their static structures. In this thesis, nucleosome systems were used as examples to demonstrate potential applications of molecular dynamics simulation methods in structural biology.

Nucleosomes are the basic building blocks of chromatins. The histone tails in nucleosomes are important for the control of gene expression and chromatin structures, because the tails are under diverse posttranslational modifications that affect the tail functions. To study the functions of histone tails and posttranslational modification effects, a series of computational modeling and simulations were performed. Based on the simulation results, several control mechanisms of chromatin structure and gene expressions were proposed. Those hypotheses can be very useful for designing experiments to further study the roles of histone tails in nucleosome dynamics and packing.

Indexing (document details)
Advisor: Duan, Yong
Commitee: Jensen, Niels Niels Gronbech, Koehl, Patrice
School: University of California, Davis
Department: Applied Science Engineering
School Location: United States -- California
Source: DAI-B 70/06, Dissertation Abstracts International
Subjects: Biochemistry, Biophysics, Computer science
Keywords: Histone code, Histone tail, Molecular dynamics simulation, Nucleosomes, Posttranslation modifications, Structural biology
Publication Number: 3358973
ISBN: 978-1-109-18393-1
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