Assessing the performance of computational methods for the prediction of the ground state structure of a cyclic decapeptide
β Scribed by Manuel Doemer; Matteo Guglielmi; Prashanth Athri; Natalia S. Nagornova; Thomas R. Rizzo; Oleg V. Boyarkin; Ivano Tavernelli; Ursula Rothlisberger
- Book ID
- 112185672
- Publisher
- John Wiley and Sons
- Year
- 2012
- Tongue
- English
- Weight
- 326 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0020-7608
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## Abstract Prediction of the known crystal structure of cyclicβLβSer(Oβ__t__βBu)βΞ²βAlaβGlyβLβΞ²βAsp(OMe) has been attempted by establishing the lowβenergy conformations of the isolated molecule by conformational analysis, and then regarding each of these as a rigid molecule, by establishing the fav