Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar ?-Hairpins.
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ABSTRACT:
SUBMITTER: Andersson H
PROVIDER: S-EPMC5331454 | biostudies-literature | 2017 Feb
REPOSITORIES: biostudies-literature
Publications
Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar β-Hairpins.
Andersson Hanna H Danelius Emma E Jarvoll Patrik P Niebling Stephan S Hughes Ashley J AJ Westenhoff Sebastian S Brath Ulrika U Erdélyi Máté M
ACS omega 20170213 2
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-b ...[more]
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