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Molecular Mechanics Parameters and Conformational Free Energies of Proline-Containing Peptides

✍ Scribed by McDonald, D. Quentin; Still, W. Clark

Book ID
125533290
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
271 KB
Volume
61
Category
Article
ISSN
0022-3263

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πŸ“œ SIMILAR VOLUMES

Ab initio and molecular mechanics confor
Ab initio and molecular mechanics conformational analysis of neutral L-proline
✍ Michael Ramek; Anne-Marie Kelterer; Sonja NikoliΔ‡ πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 243 KB πŸ‘ 2 views

The energetically low-lying parts of the potential energy surface of Ž . L -proline were investigated by ab initio RHFr6-311qqG)) calculations. The results are discussed with respect to the parametrization of the MM3 force field and in comparison with those obtained earlier for glycine and ␣-alanine