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Molecular conformational analyses of dehydroalanine analogues

✍ Scribed by Carlos Alemán; Jordi Casanovas


Publisher
Wiley (John Wiley & Sons)
Year
1995
Tongue
English
Weight
773 KB
Volume
36
Category
Article
ISSN
0006-3525

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A molecular mechanics study of polydehydroalanine [ poly-( AAla) J is presented. For this purpose the AMBER 3a program has been used to perform the calculations. With exception of the point charges, the parameters for the terminal groups were taken from AMBER 3a libraries, whereas those for the AAla

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␣,␤-Unsaturated amino acids dehydroamino acids have been found in naturally occurring antibiotics of microbial origin and in some proteins. Due to the presence of the C C double bond, the dehydroamino acids influence the main-chain ␣ ␤ and the side-chain conformations. The lowest-energy conformation