A critical assessment of force field accuracy against NMR data for cyclic peptides containing β-amino acids release_jftttp7hdbdlnaine4m52dtuzu

by C. Paissoni, F. Nardelli, S. Zanella, Flavio Curnis, Laura Belvisi, giovanna musco, michela ghitti

Published in Physical Chemistry, Chemical Physics - PCCP by Royal Society of Chemistry (RSC).

Volume 20, Issue 23 p15807-15816 (2018)

Abstract

A critical assessment of the reproducibility of NMR parameters of β amino acids pinpoints the major weaknesses of eight widely used force fields in reproducing the equilibrium conformational properties of highly constrained cyclic peptides containing isoAspartic acid.
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Type  article-journal
Stage   published
Year   2018
Language   en ?
DOI  10.1039/c8cp00234g
PubMed  29845162
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ISSN-L:  1463-9076
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