Abstract
The nucleosome core particle (NCP) is the basic packaging unit of DNA. Recently reported structures of the NCP suggest that the histone octamer undergoes conformational changes during the process of DNA translocation around the histone octamer [1]. We perform long-time MD simulations of the nucleosome core particle in aqueous medium at varying salt concentrations to explore the unwrapping process [2]. Initial results show the formation of a loop/bulge of nucleosomal DNA after 2 microsecond simulation that continues to grow throughout our 5 microseconds simulation.
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