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

Sándor Lovas, Richard F. Murphy

Research output: Contribution to journalArticle

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: THEOCHEM
Volume311
DOIs
StatePublished - 1994

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phenylalanine
Dipeptides
Solvation
Phenylalanine
carboxylic acids
solvation
Conformations
analogs
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical 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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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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