Conformational topology of ribose: A computational study
β Scribed by Abraham F. Jalbout; Ludwik Adamowicz; Lucy M. Ziurys
- Book ID
- 108088790
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 235 KB
- Volume
- 328
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
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
## Abstract __Ab initio__ molecular orbital theory with the 6β31G(d), 6β31G(d,p), 6β31+G(d), 6β31+G(d,p), 6β31+G(2d,p), 6β311G(d), 6β311G(d,p), and 6β311+G(2d,p) basis sets and density functional theory (BLYP, B3LYP, B3P86, B3PW91) have been used to locate transition states involved in the conforma