Response of rotation-translation blocked proteins using Langevin dynamics on a locally harmonic landscape.

@article{Manson2012ResponseOR,
  title={Response of rotation-translation blocked proteins using Langevin dynamics on a locally harmonic landscape.},
  author={Anthony C Manson and Rob D. Coalson},
  journal={The journal of physical chemistry. B},
  year={2012},
  volume={116 40},
  pages={12142-58}
}
Langevin dynamics is used to compute the time evolution of the nonequilibrium motion of the atomic coordinates of a protein in response to ligand dissociation. The protein potential energy surface (PES) is approximated by a harmonic basin about the minimum of the unliganded state. Upon ligand dissociation, the protein undergoes relaxation from the bound to the unbound state. A coarse graining scheme based on rotation translation blocks (RTB) is applied to the relaxation of the two domain iron… CONTINUE READING

From This Paper

Topics from this paper.

Citations

Publications citing this paper.

Similar Papers

Loading similar papers…