Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations

@inproceedings{Strom2014ProbingTG,
  title={Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations},
  author={Alexander M. Strom and Samuel C. Fehling and Sudeep Bhattacharyya and Sanchita Hati},
  booktitle={Journal of molecular modeling},
  year={2014}
}
Coarse-grained simulations have emerged as invaluable tools for studying conformational changes in biomolecules. To evaluate the effectiveness of computationally inexpensive coarse-grained models in studying global and local dynamics of large protein systems like aminoacyl-tRNA synthetases, we have performed coarse-grained normal mode analysis, as well as principle component analysis on trajectories of all-atom and coarse-grained molecular dynamics simulations for three aminoacyl-tRNA… CONTINUE READING

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