Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins

Andersson, Hanna, Danelius, Emma, Jarvoll, Patrik, Niebling, Stephan, Hughes, Ashley J ORCID: 0000-0001-5432-5271, Westenhoff, Sebastian, Brath, Ulrika and Erdelyi, Mate (2017) Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins. ACS OMEGA, 2 (2). pp. 508-516.

Text
Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins.pdf - Published version
Download (1MB)

Official URL: http://dx.doi.org/10.1021/acsomega.6b00484

Abstract

We have evaluated the ability of nuclear magnetic resonance (NMR) and circular dichroism (CD) spectroscopies to describe the difference in the folding propensities of two structurally highly similar cyclic β-hairpins, comparing the outcome to that of molecular dynamics simulations. NAMFIS-type NMR ensemble analysis and CD spectroscopy were observed to accurately describe the consequence of altering a single interaction site, whereas a single-site <sup>13</sup>C NMR chemical shift melting curve-based technique was not.

Item Type:	Article
Depositing User:	Symplectic Admin
Date Deposited:	06 Feb 2019 16:41
Last Modified:	10 Oct 2023 07:05
DOI:	10.1021/acsomega.6b00484
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3032388