Biased coarse-grained molecular dynamics simulation approach for flexible fitting of X-ray structure into cryo electron microscopy maps.

@article{Grubisic2010BiasedCM,
  title={Biased coarse-grained molecular dynamics simulation approach for flexible fitting of X-ray structure into cryo electron microscopy maps.},
  author={Ivan Grubisic and Maxim Nikolaievich Shokhirev and Marek Orzechowski and Osamu Miyashita and Florence Tama},
  journal={Journal of structural biology},
  year={2010},
  volume={169 1},
  pages={95-105}
}
Several approaches have been introduced to interpret, in terms of high-resolution structure, low-resolution structural data as obtained from cryo-EM. As conformational changes are often observed in biological molecules, these techniques need to take into account the flexibility of proteins. Flexibility has been described in terms of movement between rigid domains and between rigid secondary structure elements, which present some limitations for studying dynamical properties. Normal mode… CONTINUE READING