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 - 1994/1/1
Y1 - 1994/1/1
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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U2 - 10.1016/S0022-2860(10)80039-0
DO - 10.1016/S0022-2860(10)80039-0
M3 - Article
AN - SCOPUS:0001657597
VL - 311
SP - 297
EP - 304
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
ER -