Seven representative tripeptide conformations were considered and ab initio vibrational analyses were carried out. Two different Hessian matrix reconstruction methods were proposed. It was found that the diagonal force constants of the three peptides in one of the four helical conformations were typically larger than those of β-sheet tripeptide conformations.
|Number of pages||11|
|Journal||Journal of Chemical Physics|
|Publication status||Published - 2003 Jul 15|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry