Simplified force field calculations of the low-frequency motions of the α-helix

✍ Scribed by Bruno Fanconi; W. L. Peticolas

• Book ID: 101718758
• Publisher: Wiley (John Wiley & Sons)
• Year: 1971
• Tongue: English
• Weight: 358 KB
• Volume: 10
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.360101115

✦ Synopsis

Using valence force field constants and a highly simplified model of the a-helix consisting of only two masses per repeat unit we have been able to very nearly reproduce the low frequency phonon dispersion curves which we had obtained earlier with the use of a seven mass model and a Urey-Bradley force field. Since the frequencies obtained from this latter model agree well with the observed Raman frequencies it appears that the low frequency chain motions of polypeptide chains may be calculated from a very simple model involving the amino acid residues as essentially a single mass. Such techniques appear to offer the possibility of making normal mode calculations for the chain dynamics of polypeptide chains of low symmetry such as proteins.