Proline in alpha-helix: stability and conformation studied by dynamics simulation.

@article{Yun1991ProlineIA,
  title={Proline in alpha-helix: stability and conformation studied by dynamics simulation.},
  author={Ru Huai Yun and A G Anderson and Jan Hermans},
  journal={Proteins},
  year={1991},
  volume={10 3},
  pages={219-28}
}
Free-energy simulations have been used to estimate the change in the conformational stability of short polyalanine alpha-helices when one of the alanines is replaced by a proline residue. For substituting proline in the middle of the helix the change in free energy of folding (delta delta G degrees) was calculated as 14 kJ/mol (3.4 kcal/mol), in excellent… CONTINUE READING