What is it about?

CGCD is a knowledge-based model intended to predict the circular dichroism spectra of proteins. It requires the PDB file of the protein and an appropriate characterization of its residues.

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Why is it important?

Circular dichroism (CD) is a cheap a fast technique, however, it is not so easy to give a more quantitative interpretation of CD spectra. A CGCD predicted spectrum can help to bridge the gap between the protein 3D structure and the experimental data.

Perspectives

This classical model opens the possibility of better interpretations of CD spectra.

Mauricio Carbajal-Tinoco
Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional

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This page is a summary of: Secondary structure specified polarizabilities of residues for an evaluation of circular dichroism spectra of proteins, The Journal of Chemical Physics, October 2020, American Institute of Physics, DOI: 10.1063/5.0023360.
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