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Image Credit: Arxiv

Identifying critical residues of a protein using meaningfully-thresholded Random Geometric Graphs

  • Identification of critical residues of a protein is crucial for its function.
  • Three methods are presented to identify critical residues of a protein using Random Geometric Graphs.
  • A Random Geometric Graph is learned based on correlations between state variables of residues.
  • Cramer's V is used to compute the correlation between residue pairs.
  • Organic thresholding is introduced to learn the Random Geometric Graph.
  • Results are compared with existing thresholding techniques using nodal degree as a criticality parameter.
  • A criticality measure is developed by ranking differences in posterior probabilities between full and partial graphs.
  • Criticality is also studied based on the variation of nodal degrees as the protein evolves.
  • The study compares results obtained from the three criticality parameters with experimentally verified critical residues.

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