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Molecular orbital calculations on the conformation of polypeptides and proteins. II. Conformational energy maps and stereochemical rotational states of aromatic residues

โœ Scribed by Bernard Maigret; Bernard Pullman; David Perahia


Publisher
Wiley (John Wiley & Sons)
Year
1971
Tongue
English
Weight
956 KB
Volume
10
Category
Article
ISSN
0006-3525

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Stability of polypeptide conformational
โœ Hagai Meirovitch; M. Vรกsquez; Harold A. Scheraga ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 911 KB

The scanning simulation method suggested by Meirovitch is extended to a study of the stability of decaglycine at 100 and 300 K. The model is based on the potential energy function ECEPP (Empirical Conformational Energy Program for Peptides) with rigid geometry and without solvent. The free energy of