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

4 Scopus citations

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 - Jan 1 1994

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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