Theoretical investigation of the conformations of cyclic peptide and depsipeptide compounds
β Scribed by E. M. Popov; V. Z. Pletnev; G. M. Lipkind; S. F. Arkhipova
- Book ID
- 112420967
- Publisher
- Springer
- Year
- 1971
- Tongue
- English
- Weight
- 625 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1573-9171
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π SIMILAR VOLUMES
Ab initio SCF and CI calculations xc reported which find the cyclic conformer of czone to Iic 16 kczl/mole above the preferred (open-chain) form of this substance. Polarization functions ir! the A0 basis set are found to be quite important in this dctcrmination, strongly favorin g the cyclic species
The allowed conformations of the p-receptor-selective cyclic opioid peptide analog H-Tyr-D-Om-Phe-Asp-NH, were determined using a grid search through the entire conformational space. Energy mnimization of the 13-membered ring structure lacking the exocyclic Tyr' residue and the Phe3 side chain using