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Updated: Aug 2, 2026

Optimization of Synthetic Proteins: Identification of Interpositional Dependencies Indicating Structurally and/or Functionally Linked Residues
Published on: July 14, 2015
A heuristic procedure for the detection of locally similar substructures of two equivalent structures
1Department of Physiology and Biophysics, Mount Sinai School of Medicine, CUNY, NY 10029.
Abstract:
A heuristic procedure is presented for the detection of locally similar substructures in two equivalent molecules, using elementary graph theoretical concepts. The capabilities of the procedure are demonstrated on the comparison of the calmodulin backbone in the X-ray structure and in a structure obtained from molecular dynamics.
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