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Conformational analysis of a novel cyclic enkephalin analogue using NMR and EDMC calculations

100%

Sidor M., Wojcik J., Pawlak D., Izdebski J.

Acta Biochimica Polonica

1999

tom 46

nr 3

Conformational space of a novel cyclic enkephalin analogue, cyclo(Nε, Nε'-carbonyl-D-Lys2,Lys5) enkephalinamide, was exhaustively examined. A large number of conformations was selected and clustered into families on the basis of their structure and energy. For representative conformations ROESY spectra were generated and their linear combination was fitted to the spectra measured in water and Me2-SO-d6. This procedure yielded an ensemble of most populated conformations of the peptide in the two solvents.

Ograniczanie wyników

1 Acta Biochimica Polonica

1 Izdebski J.

1 Pawlak D.

1 Sidor M.

1 Wojcik J.

1 1999

Wyniki wyszukiwania

Conformational analysis of a novel cyclic enkephalin analogue using NMR and EDMC calculations