SOLVATED STRUCTURE-ANALYSIS OF A CONFORMATIONALLY RESTRICTED ANALOG OF PHENYLALANINE IN A DIPEPTIDE MODEL BY THE AM1-SM2 METHOD

Authors
LOVAXS S MURPHY RF
Citation
S. Lovaxs et Rf. Murphy, SOLVATED STRUCTURE-ANALYSIS OF A CONFORMATIONALLY RESTRICTED ANALOG OF PHENYLALANINE IN A DIPEPTIDE MODEL BY THE AM1-SM2 METHOD, Journal of molecular structure. Theochem, 117, 1994, pp. 297-304
Citations number
10
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
117
Year of publication
1994
Pages
297 - 304
Database
ISI
SICI code
0166-1280(1994)117:<297:SSOACR>2.0.ZU;2-8
Abstract
The effects of aqueous solvation on the conformational properties of L - and D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) were st udied in a model dipeptide by means of AM1 and AM1-SM2 methods. The an alysis of calculations predicts equivalent stability of g(-) and g(+) conformations in aqueous phase.