Title
Chemical annotation of small and peptide-like molecules at the Protein Data Bank.
Abstract
Over the past decade, the number of polymers and their complexes with small molecules in the Protein Data Bank archive (PDB) has continued to increase significantly. To support scientific advancements and ensure the best quality and completeness of the data files over the next 10 years and beyond, the Worldwide PDB partnership that manages the PDB archive is developing a new deposition and annotation system. This system focuses on efficient data capture across all supported experimental methods. The new deposition and annotation system is composed of four major modules that together support all of the processing requirements for a PDB entry. In this article, we describe one such module called the Chemical Component Annotation Tool. This tool uses information from both the Chemical Component Dictionary and Biologically Interesting molecule Reference Dictionary to aid in annotation. Benchmark studies have shown that the Chemical Component Annotation Tool provides significant improvements in processing efficiency and data quality. Database URL: http://wwpdb.org
Year
DOI
Venue
2013
10.1093/database/bat079
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION
Field
DocType
Volume
Data mining,Data quality,Computer science,Data file,Protein Data Bank,Reference standards,Annotation,Information retrieval,Automatic identification and data capture,Bioinformatics,Molecular Sequence Annotation,Protein Data Bank (RCSB PDB),Database
Journal
2013
ISSN
Citations 
PageRank 
1758-0463
5
0.61
References 
Authors
8
10
Name
Order
Citations
PageRank
Jasmine Young134321.42
Zukang Feng22975623.29
Dimitris Dimitropoulos335252.35
Raul Sala4423.83
John Westbrook53507670.85
Marina Zhuravleva6151.50
Chenghua Shao7151.50
Martha Quesada822213.42
Ezra Peisach9101.06
Helen Berman103661681.16