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Theoretical conformational analysis on Cyclo (prolyl‐phenylalanyl) peptides
Author(s) -
Ajò David,
Granozzi Gaetano,
Di Bello Carlo
Publication year - 1977
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1977.360160402
Subject(s) - chemistry , ring (chemistry) , molecule , stereochemistry , cyclic peptide , side chain , computational chemistry , peptide , organic chemistry , biochemistry , polymer
Empirical energy calculations on cyclo ( L ‐Pro‐ L ‐Phe) and cyclo ( L ‐Pro‐D‐Phe) indicate that different conformations are possible for each molecule. The theoretical results are compared to ir, nmr, and crystallographic data. The interdependence between diketopiperazine ring and side‐chain conformations is also discussed.