Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A.

@article{Yoo2013ThreedimensionalSF,
  title={Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A.},
  author={Jejoong Yoo and Qiang Cui},
  journal={Biophysical journal},
  year={2013},
  volume={104 1},
  pages={117-27}
}
Using both atomistic and coarse-grained (CG) models, we compute the three-dimensional stress field around a gramicidin A (gA) dimer in lipid bilayers that feature different degrees of negative hydrophobic mismatch. The general trends in the computed stress field are similar at the atomistic and CG levels, supporting the use of the CG model for analyzing the mechanical features of protein/lipid/water interfaces. The calculations reveal that the stress field near the protein-lipid interface… CONTINUE READING
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