an online tool for the analysis of circular dichroism spectroscopy data
Osvaldo Burastero (Author), Nykola C. Jones (Author), Lucas A. Defelipe (Author), Uroš Zavrtanik (Author), San Hadži (Author), Søren Vrønning Hoffmann (Author), Maria Garcia-Alai (Author)

Abstract

Circular dichroism (CD) spectroscopy is an established biophysical technique to study chiral molecules. CD allows investigating conformational changes under varying experimental conditions and has been used to understand secondary structure, folding, and binding of proteins and nucleic acids. Here, we present ChiraKit, a user-friendly, online, and open-source tool to process raw CD data and perform advanced analysis. ChiraKit features include the calculation of protein secondary structure with the SELCON3 and SESCA algorithms, estimation of peptide helicity using the helix-ensemble model, the fitting of thermal/chemical unfolding or user-defined models, and the decomposition of spectra through singular value decomposition or principal component analysis. ChiraKit can be accessed at https://spc.embl-hamburg.de/.

Keywords

spektroskopija;cirkularni dikroizem;biofizikalna kemija;sekundarna struktura proteinov;termična denaturacija;intrinzično neurejeni proteini;programska oprema;spectroscopy;circular dichroism;biophysical chemistry;secondary structure;thermal unfolding;intrinsically disordered proteins;software;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: UL FKKT - Faculty of Chemistry and Chemical Technology
UDC: 577.322:004.4
COBISS: 235365891 Link will open in a new window
ISSN: 1362-4962
Views: 284
Downloads: 71
Average score: 0 (0 votes)
Metadata: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Other data

Secondary language: Slovenian
Secondary keywords: spektroskopija;cirkularni dikroizem;biofizikalna kemija;sekundarna struktura proteinov;termična denaturacija;intrinzično neurejeni proteini;programska oprema;
Type (COBISS): Article
Pages: str. 1-11
Volume: ǂVol. ǂ
Issue: ǂiss. ǂ, [article no.] gkaf350
Chronology: 2025
DOI: 10.1093/nar/gkaf350
ID: 26361774