Essential domain motions in barnase revealed by MD simulations.

  title={Essential domain motions in barnase revealed by MD simulations.},
  author={Svetlana B Nolde and Alexander S. Arseniev and Vladislav Yu Orekhov and Martin Urs Billeter},
  volume={46 3},
The wealth of data accumulated on the bacterial ribonuclease barnase is complemented by molecular dynamics trajectories starting from four different experimental structures and covering a total of >10 ns. Using principal component analysis, the simulations are interpreted in view of dynamic domains and hinges promoting relative motions of these domains. Two domains with residues 7-22 and 52-108 for the first domain and residues 25-51 for the second domain were consistently observed. Hinge… CONTINUE READING

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