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
Biopolymersjournal_title
Biopolymersauthors
Qian W,Bandekar J,Krimm Sdoi
10.1002/bip.360310208subject
Has Abstractpub_date
1991-02-05 00:00:00pages
193-210issue
2eissn
0006-3525issn
1097-0282journal_volume
31pub_type
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