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Conformational properties of a model alanyl dipeptide and of alanine-derived oligopeptides: Effects of solvation in water and in organic solvents—A combined SIBFA/continuum reaction field, ab initio self-consistent field, and density functional theory investigation

✍ Scribed by Nohad Gresh; Gilles Tiraboschi; Dennis R. Salahub

Publisher: Wiley (John Wiley & Sons)
Year: 1998
Tongue: English
Weight: 286 KB
Volume: 45
Category: Article
ISSN: 0006-3525
DOI: 10.1002/(sici)1097-0282(199805)45:6<405::aid-bip1>3.0.co;2-t

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✦ Synopsis

A f/c conformational energy map of a model alanyl dipeptide is first drawn using the SIBFA (Sum of Interactions Between Fragments Ab initio computed) procedure [N. Gresh, P. Claverie and A.