Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method

Sándor Lovas, Richard F. Murphy

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5 Citations (Scopus)

Abstract

The effects of aqueous solvation on the conformational properties of l- and d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) were studied in a model dipeptide by means of AM1 and AM1-SM2 methods. The analysis of calculations predicts equivalent stability of g(−) and g(+) conformations in aqueous phase.

Original languageEnglish (US)
Pages (from-to)297-304
Number of pages8
JournalJournal of Molecular Structure
Volume311
DOIs
StatePublished - 1994

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Dipeptides
Solvation
Phenylalanine
Conformations
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

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title = "Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method",
abstract = "The effects of aqueous solvation on the conformational properties of l- and d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) were studied in a model dipeptide by means of AM1 and AM1-SM2 methods. The analysis of calculations predicts equivalent stability of g(−) and g(+) conformations in aqueous phase.",
author = "S{\'a}ndor Lovas and Murphy, {Richard F.}",
year = "1994",
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publisher = "Elsevier",

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AU - Murphy, Richard F.

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N2 - The effects of aqueous solvation on the conformational properties of l- and d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) were studied in a model dipeptide by means of AM1 and AM1-SM2 methods. The analysis of calculations predicts equivalent stability of g(−) and g(+) conformations in aqueous phase.

AB - The effects of aqueous solvation on the conformational properties of l- and d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) were studied in a model dipeptide by means of AM1 and AM1-SM2 methods. The analysis of calculations predicts equivalent stability of g(−) and g(+) conformations in aqueous phase.

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