The conformation of diribosylribitol phosphate was studied by means of NMR spectroscopy and molecular dynamics (MD). Starting from 3 J( 1 H, 1 H), 3 J( 31 P, 1 H) and 3 J( 31 P, 13 C) couplings, measured from 1 H NMR, 13 C NMR and COSY spectra, the conformations of the ribose residues and the phosph
Conformation of Trisialic Acid Lactone: NMR Spectroscopic Analysis and Molecular Dynamics Simulation
β Scribed by Chien-Sheng Chen; Yi-Ping Yu; Chun-Hua Hsu; Ying-Ta Wu; Wei Zou; Jim-Min Fang; Shih-Hsiung Wu
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 258 KB
- Volume
- 2007
- Category
- Article
- ISSN
- 1434-193X
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract The present study describes an extensive conformational search of substance P using two different computational methods. On the one hand, the peptide was studied using the iterative simulated annealing, and on the other, molecular dynamics simulations at 300 and 400 K. With the former m
## Abstract We present a detailed conformational study of a simplified synthetic analog of the bisβoxazole oxane fragment found in the cytostatic agents phorboxazole A and B based on results from NMR spectroscopy and molecular modeling simulations. Complete ^1^H and ^13^C resonance assignments for