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 journal › Article

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

Fingerprint

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

Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method. / Lovas, Sándor; Murphy, Richard F.

In: Journal of Molecular Structure, Vol. 311, 1994, p. 297-304.

Research output: Contribution to journal › Article

Lovas, S & Murphy, RF 1994, 'Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method', Journal of Molecular Structure, vol. 311, pp. 297-304. https://doi.org/10.1016/S0022-2860(10)80039-0
Lovas S, Murphy RF. Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method. Journal of Molecular Structure. 1994;311:297-304. https://doi.org/10.1016/S0022-2860(10)80039-0
Lovas, Sándor ; Murphy, Richard F. / Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method. In: Journal of Molecular Structure. 1994 ; Vol. 311. pp. 297-304.
@article{0172fca2069c4534989e438f05110a13,
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",
doi = "10.1016/S0022-2860(10)80039-0",
language = "English (US)",
volume = "311",
pages = "297--304",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

TY - JOUR

T1 - Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method

AU - Lovas, Sándor

AU - Murphy, Richard F.

PY - 1994

Y1 - 1994

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.

UR - http://www.scopus.com/inward/record.url?scp=0001657597&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0001657597&partnerID=8YFLogxK

U2 - 10.1016/S0022-2860(10)80039-0

DO - 10.1016/S0022-2860(10)80039-0

M3 - Article

VL - 311

SP - 297

EP - 304

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

Access to Document