ATP dependent NS3 helicase interaction with RNA: insights from molecular simulations

@article{PrezVilla2015ATPDN,
  title={ATP dependent NS3 helicase interaction with RNA: insights from molecular simulations},
  author={Andrea P{\'e}rez-Villa and M{\'a}ria Darvas and G. Bussi},
  journal={Nucleic Acids Research},
  year={2015},
  volume={43},
  pages={8725 - 8734}
}
Non-structural protein 3 (NS3) helicase from hepatitis C virus is an enzyme that unwinds and translocates along nucleic acids with an ATP-dependent mechanism and has a key role in the replication of the viral RNA. An inchworm-like mechanism for translocation has been proposed based on crystal structures and single molecule experiments. We here perform atomistic molecular dynamics in explicit solvent on the microsecond time scale of the available experimental structures. We also construct and… Expand
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