Empirical force-field assessment: The interplay between backbone torsions and noncovalent term scaling

@article{Sorin2005EmpiricalFA,
  title={Empirical force-field assessment: The interplay between backbone torsions and noncovalent term scaling},
  author={Eric J. Sorin and Vijay S. Pande},
  journal={Journal of computational chemistry},
  year={2005},
  volume={26 7},
  pages={682-90}
}
The kinetic and thermodynamic aspects of the helix-coil transition in polyalanine-based peptides have been studied at the ensemble level using a distributed computing network. This study builds on a previous report, which critically assessed the performance of several contemporary force fields in reproducing experimental measurements and elucidated the complex nature of helix-coil systems. Here we consider the effects of modifying backbone torsions and the scaling of noncovalent interactions… CONTINUE READING

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