Computational study of the conformational profiles of model bis-cystine cyclic peptides
β Scribed by Yolanda Fernandez; Josep M. Ricart; Juan J. Perez
- Book ID
- 116091608
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 991 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0141-8130
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π SIMILAR VOLUMES
A 20-membered cyclic peptide disulfide Boc-C ys-Val-Aib-Ma-Leu-C ys-NHMe I I S S has been synthesized as a conformational model for disulfide loops of limited ring size. 'H-nmr studies at 270 MHz establish the presence of three intramolecular hydrogen bonds involving the Leu, Val, and methylamide NH
The conformational preferences of peptide T (ASTTTNYT) were analysed by means of computational methods. A thorough exploration of the conformational space was carried out within the framework of the molecular mechanics approach, using simulated annealing as a searching strategy. Specifically, in ord