Atomic torsional modal analysis for high-resolution proteins.

@article{Tirion2015AtomicTM,
  title={Atomic torsional modal analysis for high-resolution proteins.},
  author={Monique M. Tirion and Daniel ben-Avraham},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2015},
  volume={91 3},
  pages={
          032712
        }
}
  • M. Tirion, D. ben-Avraham
  • Published 19 December 2014
  • Physics
  • Physical review. E, Statistical, nonlinear, and soft matter physics
We introduce a formulation for normal mode analyses of globular proteins that significantly improves on an earlier one-parameter formulation [M. M. Tirion, Phys. Rev. Lett. 77, 1905 (1996)] that characterized the slow modes associated with protein data bank structures. Here we develop that empirical potential function that is minimized at the outset to include two features essential to reproduce the eigenspectra and associated density of states in the 0 to 300cm-1 frequency range, not merely… 

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