Molecular dynamics simulations as a complement to nuclear magnetic resonance and X-ray diffraction measurements.

@article{Feller2007MolecularDS,
  title={Molecular dynamics simulations as a complement to nuclear magnetic resonance and X-ray diffraction measurements.},
  author={Scott Feller},
  journal={Methods in molecular biology},
  year={2007},
  volume={400},
  pages={89-102}
}
Advances in the field of atomic-level membrane simulations are being driven by continued growth in computing power, improvements in the available potential energy functions for lipids, and new algorithms that implement advanced sampling techniques. These developments are allowing simulations to assess time- and length scales wherein meaningful comparisons with experimental measurements on macroscopic systems can be made. Such comparisons provide stringent tests of the simulation methodologies… CONTINUE READING