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Cover Image, Volume 35, Issue 30
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23760
Subject(s) - cover (algebra) , computer science , citation , function (biology) , protein function , volume (thermodynamics) , image (mathematics) , information retrieval , artificial intelligence , data mining , library science , chemistry , biology , physics , biochemistry , engineering , mechanical engineering , quantum mechanics , evolutionary biology , gene
A structure‐based function‐prediction technique SPOT for carbohydrate‐binding proteins is reported on page 2177 (DOI: 10.1002/jcc.23730 ) by Huiying Zhao, Yuedong Yang, Mark von Itzstein, and Yaoqi Zhou. The method first predicts a complex structure between a target protein and a template carbohydrate based on a structural alignment program SPalign and subsequently validates the binding by using a knowledge‐based potential with a DFIRE reference state. The leave‐one‐out cross‐validation confirms that the method has high precision and reasonable sensitivity in predicting binding function and binding residues.