Molecular dynamics simulations of proteins in lipid bilayers.

  title={Molecular dynamics simulations of proteins in lipid bilayers.},
  author={James C. Gumbart and Yi Wang and Alekseij Aksimentiev and Emad Tajkhorshid and Klaus Schulten},
  journal={Current opinion in structural biology},
  volume={15 4},
With recent advances in X-ray crystallography of membrane proteins promising many new high-resolution structures, molecular dynamics simulations will become increasingly valuable for understanding membrane protein function, as they can reveal the dynamic behavior concealed in the static structures. Dramatic increases in computational power, in synergy with more efficient computational methodologies, now allow us to carry out molecular dynamics simulations of any structurally known membrane… CONTINUE READING


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