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In a paper recently published in Nature Communications, the HUN-REN-ELTE Protein Modeling Research Group (Institute of Chemistry) has laid the foundations for a mathematical method, allowing the computer-assisted comparison of the three-dimensional structures of proteins. The method is unique in that while the alternatives available so far only took into account the position of the atoms, the new technique, called LoCoHD (Local Composition Hellinger Distance), also includes the chemical information of the atoms.

Zsolt fazekasProtein modeling research group institute of chemistryNature communicationsSchool of chemistryModeling research groupLocal composition hellinger distanceCritical assessmentProtein structure prediction