HiRE-RNA: a high resolution coarse-grained energy model for RNA.

  title={HiRE-RNA: a high resolution coarse-grained energy model for RNA.},
  author={Samuela Pasquali and Philippe Derreumaux},
  journal={The journal of physical chemistry. B},
  volume={114 37},
Although RNAs play many cellular functions, the gap between their sequences and 3D structures is increasing and our knowledge of RNA thermodynamics and long time scale dynamics is still limited at an atomic level of detail. In principle, all-atom molecular dynamics (MD) and replica exchange molecular dynamics (REMD) simulations can investigate these issues, but with current computer facilities, these simulations in explicit solvent have been limited to small RNAs and to short times. To move to… CONTINUE READING
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