Normal‐mode driven exploration of protein domain motions

@article{Sanejouand2021NormalmodeDE,
  title={Normal‐mode driven exploration of protein domain motions},
  author={Yves‐Henri Sanejouand},
  journal={Journal of Computational Chemistry},
  year={2021},
  volume={42},
  pages={2250}
}
  • Y. Sanejouand
  • Published 22 March 2021
  • Physics
  • Journal of Computational Chemistry
Domain motions involved in the function of proteins can often be well described as a combination of motions along a handfull of low‐frequency modes, that is, with the values of a few normal coordinates. This means that, when the functional motion of a protein is unknown, it should prove possible to predict it, since it amounts to guess a few values. However, without the help of additional experimental data, using normal coordinates for generating accurate conformers far away from the initial… 
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