Divide and Correlate: Mapping Electronic Correlations in Proteins via Local Cut-Wise Reconstruction

Mostafa Javaheri Moghadam; R. Mulder; Stijn De Baerdemacker

doi:10.1039/d5cc04161a

January 1, 2026Chemical Communications

Divide and Correlate: Mapping Electronic Correlations in Proteins via Local Cut-Wise Reconstruction

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Key Points

The aim is to develop a method for quantifying electronic correlations in proteins, specifically insulin.
Introduced a scalable method for analyzing electronic correlations.
Utilized mutual information to characterize interactions.
Employed a local cut-wise strategy to assess locality and decay of correlations.
Quantified significant interatomic and inter-residue interactions in insulin.
Demonstrated the effectiveness of the method in mapping electronic correlations.

Implication

A method quantifies electronic correlations in insulin, highlighting interaction dynamics.

Abstract

We introduce a scalable method to quantify electronic correlations in insulin using mutual information (MI), characterizing interatomic and inter-residue interactions. A cut-wise strategy, based on the locality and decay of...

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Cite This Study

Moghadam et al. (2026) studied this question.

synapsesocial.com/papers/6971be10642b1836717e2ad3 https://doi.org/10.1039/d5cc04161a

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Divide and Correlate: Mapping Electronic Correlations in Proteins via Local Cut-Wise Reconstruction

Key Points

Implication

Abstract

Discussion

Cite This Study

Divide and Correlate: Mapping Electronic Correlations in Proteins via Local Cut-Wise Reconstruction

Key Points

Implication

Abstract

Discussion

Cite This Study

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