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January 22, 2026Chemical Communications0 citations

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

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MMMostafa Javaheri MoghadamRMR. MulderSBStijn De Baerdemacker

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.

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/6971be10642b1836717e2ad3https://doi.org/10.1039/d5cc04161a
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