Molecular dynamics simulations in biology

@article{Karplus1990MolecularDS,
  title={Molecular dynamics simulations in biology},
  author={Martin Karplus and Gregory A. Petsko},
  journal={Nature},
  year={1990},
  volume={347},
  pages={631-639}
}
Molecular dynamics—the science of simulating the motions of a system of particles—applied to biological macromolecules gives the fluctuations in the relative positions of the atoms in a protein or in DNA as a function of time. Knowledge of these motions provides insights into biological phenomena such as the role of flexibility in ligand binding and the rapid solvation of the electron transfer state in photosynthesis. Molecular dynamics is also being used to determine protein structures from… 

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