Nucleic acid folding simulations using a physics-based atomistic free energy model.

@article{Mak2022NucleicAF,
  title={Nucleic acid folding simulations using a physics-based atomistic free energy model.},
  author={Chi-ho Mak},
  journal={The Journal of chemical physics},
  year={2022},
  volume={156 17},
  pages={
          174114
        }
}
  • C. Mak
  • Published 24 January 2022
  • Biology
  • The Journal of chemical physics
Performing full-resolution atomistic simulations of nucleic acid folding has remained a challenge for biomolecular modeling. Understanding how nucleic acids fold and how they transition between different folded structures as they unfold and refold has important implications for biology. This paper reports a theoretical model and computer simulation of the ab initio folding of DNA inverted repeat sequences. The formulation is based on an all-atom conformational model of the sugar-phosphate… 

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