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An algorithm to peel the atoms of proteins as layers from periphery to center. Layers identifies residue transition pattern, which may be used for the comparison of folding pattern between two molecules. Besides, it also extracts molecular surfaces and protruding atoms at custom fineness by non-random sampling, which can be used for shape estimation and molecular surface comparison for protein recognition and ligand design.

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Layers classification

Layers specifications

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Layers support


  • Naga Bhusha Rao Karampudi <>


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Advanced Technology Development Center, Indian Institute of Technology Kharagpur, Kharagpur, West Bengal, India; Computational Structural Biology Lab, Department of Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur, West Bengal, India

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