A heuristic procedure for the detection of locally similar substructures of two equivalent structures.
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.
Mezei
M
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Department of Physiology and Biophysics, Mount Sinai School of Medicine, CUNY, NY 10029.
D002147:Calmodulin / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004151:Dipeptides / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D012984:Software
D002147:Calmodulin; D004151:Dipeptides; C002956:alanylalanine