Abstract: The biogenesis and function of mature microRNAs (miRNAs) is dependent on the nuclear export of miRNA precursors (pre-miRNA) by Exportin-5 (Exp5). To characterize the molecular mechanisms of how pre-miRNA is recognized and transported by Exp5, we have performed 21 molecular dynamic (MD) simulations of RNA-bound Exp5 (Exp5–RanGTP–premiRNA, Exp5–RanGDP–premiRNA, Exp5–premiRNA), RNA-unbound Exp5 (Exp5–RanGTP, Exp5–RanGDP, apo–Exp5), and pre-miRNA. Our simulations with standard MD, steered molecular dynamics (SMD), and energy analysi...
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Topics: 
Cell biology
Computational biology
Genetics