Vibrational analysis of crystalline tri-L-alanine.

Abstract:

:We have found that tri-L-alanine (Ala3) can crystallize in a parallel-chain beta structure in addition to the previously known antiparallel-chain beta structure. Although the chain conformations in each structure are essentially similar, the ir and Raman spectra are distinctively different. We have calculated the normal modes of each structure, and can account in significant detail for these differences. This demonstrates the essential validity of our empirically refined force fields, as well as showing that deeper insights into polypeptide and protein structure can be achieved through the rigorous analyses of normal mode calculations.

journal_name

Biopolymers

journal_title

Biopolymers

authors

Qian W,Bandekar J,Krimm S

doi

10.1002/bip.360310208

subject

Has Abstract

pub_date

1991-02-05 00:00:00

pages

193-210

issue

2

eissn

0006-3525

issn

1097-0282

journal_volume

31

pub_type

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