Normal‐mode driven exploration of protein domain motions

  title={Normal‐mode driven exploration of protein domain motions},
  author={Yves‐Henri Sanejouand},
  journal={Journal of Computational Chemistry},
  • 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… 
2 Citations
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    Proceedings of the National Academy of Sciences of the United States of America
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