The protein–small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding | Zendy

Izhar Wallach | Zendy; Ryan Lilien | Zendy

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The protein–small-molecule database, a non-redundant structural resource for the analysis of protein-ligand binding

Author(s) -

Izhar Wallach,

Ryan Lilien

Publication year - 2009

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btp035

Subject(s) - computer science , database , protein structure database , redundancy (engineering) , protein data bank (rcsb pdb) , protein data bank , annotation , small molecule , function (biology) , protein structure , data mining , computational biology , chemistry , biology , artificial intelligence , biochemistry , genetics , sequence database , gene , operating system

An enabling resource for drug discovery and protein function prediction is a large, accurate and actively maintained collection of protein/small-molecule complex structures. Models of binding are typically constructed from these structural libraries by generalizing the observed interaction patterns. Consequently, the quality of the model is dependent on the quality of the structural library. An ideal library should be non-biased and comprehensive, contain high-resolution structures and be actively maintained.

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