Entropy-accelerated exact clustering of protein decoys | Zendy

Francois Berenger | Zendy; Yong Zhou | Zendy; Rojan Shrestha | Zendy; Kam Y. J. Zhang | Zendy

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Entropy-accelerated exact clustering of protein decoys

Author(s) -

Francois Berenger,

Yong Zhou,

Rojan Shrestha,

Kam Y. J. Zhang

Publication year - 2011

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btr072

Subject(s) - decoy , cluster analysis , computer science , software , pairwise comparison , entropy (arrow of time) , data mining , set (abstract data type) , metric (unit) , algorithm , artificial intelligence , engineering , physics , biochemistry , chemistry , receptor , operations management , quantum mechanics , programming language

Clustering is commonly used to identify the best decoy among many generated in protein structure prediction when using energy alone is insufficient. Calculation of the pairwise distance matrix for a large decoy set is computationally expensive. Typically, only a reduced set of decoys using energy filtering is subjected to clustering analysis. A fast clustering method for a large decoy set would be beneficial to protein structure prediction and this still poses a challenge.

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