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 language | English (US) |
|---|---|
| Pages (from-to) | 297-304 |
| Number of pages | 8 |
| Journal | Journal of Molecular Structure: THEOCHEM |
| Volume | 311 |
| DOIs | |
| State | Published - 1994 |
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All Science Journal Classification (ASJC) codes
- Biochemistry
- Condensed Matter Physics
- Physical and Theoretical 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: THEOCHEM, Vol. 311, 1994, p. 297-304.Research output: Contribution to journal › Article
}
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=85025355928&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85025355928&partnerID=8YFLogxK
U2 - 10.1016/S0166-1280(09)80067-5
DO - 10.1016/S0166-1280(09)80067-5
M3 - Article
AN - SCOPUS:85025355928
VL - 311
SP - 297
EP - 304
JO - Computational and Theoretical Chemistry
JF - Computational and Theoretical Chemistry
SN - 2210-271X
ER -