The early events of protein folding : Simulations of polyalanine folding into an alpha-helix

@inproceedings{Bertsch1998TheEE,
  title={The early events of protein folding : Simulations of polyalanine folding into an alpha-helix},
  author={Ruth Ann Bertsch},
  year={1998}
}
The kinetics of α-helix formation in polyalanine and polyglycine eicosamers (20-mers) were examined using the Newton-Euler Inverse Mass Operator (NEIMO) method (Jain et al. (1993) J. Comp. Phys. 106: 258-268), a new type of torsional coordinate molecular dynamics (MD). One hundred fifty-five (155) different MD experiments were carried out on extended (Ala)_(20) under identical conditions for 0.5 ns each, and 129 of the simulations (83%) formed a persistent α-helix. In contrast, the extended… CONTINUE READING