DISTANCE GEOMETRY ANALYSIS OF THE N.M.R. EVIDENCE ON THE SOLUTION CONFORMATION OF BLEOMYCIN
β Scribed by CRIPPEN, GORDON M. ;OPPENHEIMER, NORMAN J. ;CONNOLLY, MICHAEL L.
- Book ID
- 115097695
- Publisher
- Wiley (Blackwell Publishing)
- Year
- 2009
- Tongue
- English
- Weight
- 990 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0367-8377
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The 13C-n.m.r. signals of the heptitols in aqueous solution, and of their acetates in chloroform solution, have been assigned by the use of specifically deuterium-substituted compounds. From these spectra, the preponderant conformation of each heptitol has been determined, particularly by comparison
The distance geometry algorithm as embodied in the program DGEOM was examined as a method for searching cyclic peptide conformations. Conformations were randomly generated using covalent distance and chirality constraints, but torsion angle rather than distance sampling was used for 1,4 relationship