
ĭrew ED, Janes RW (2020) PDBMD2CD: providing predicted protein circular dichroism spectra from multiple molecular dynamics-generated protein structures. ĭrew ED, Janes RW (2019) 2StrucCompare: a webserver for visualizing small but noteworthy differences between protein tertiary structures through interrogation of the secondary structure content. (86)90241-1ĭi Giuseppe AMA, Russo L, Russo R, Ragucci S, Caso JV, Isernia C (1865) Di Maro A (2017) Molecular characterization of myoglobin from Sciurus vulgaris meridionalis: primary structure, kinetics and spectroscopic studies. Ĭompton LA, Johnson WC Jr (1986) Analysis of protein circular dichroism spectra for secondary structure using a simple matrix multiplication. īürck J, Wadhwani P, Fanghänel S, Ulrich AS (2016) Oriented circular dichroism: a method to characterize membrane-active peptides in oriented lipid bilayers. An inappropriate choice of data collection parameters can lead to a misinterpretation of the CD data in terms of the protein structural content.Īnthis NJ, Clore GM (2013) Sequence-specific determination of protein and peptide concentrations by absorbance at 205 nm. Bioinformatics analysis carried out with SESCA package and PDBMD2CD server predicted a theoretical myoglobin CD spectrum, and a Monte Carlo-like model was implemented to estimate the uncertainty in secondary structure predictions performed with CDSSTR, Selcon 3 and ContinLL algorithms. In this paper, the CD spectrum of myoglobin was used as a model to exploit how variations on each data collection parameter could affect the final protein CD spectrum and, the subsequent effect of them on the quantitative analysis of protein secondary structure. The analysis of a protein CD spectrum depends on the quality of the original CD data, which can be affected by the sample purity, background absorption of the additives/solvent/buffer, the choice of the parameters used for data collection, etc.


Circular dichroism (CD) spectroscopy is a well-established biophysical technique used to investigate the structure of molecules.
