ASSIST: a fast versatile local structural comparison tool
@article{Caprari2014ASSISTAF, title={ASSIST: a fast versatile local structural comparison tool}, author={S. Caprari and D. Toti and Le Viet Hung and M. D. Stefano and F. Polticelli}, journal={Bioinformatics}, year={2014}, volume={30 7}, pages={ 1022-4 } }
MOTIVATION
Structural genomics initiatives are increasingly leading to the determination of the 3D structure of target proteins whose catalytic function is not known. The aim of this work was that of developing a novel versatile tool for searching structural similarity, which allows to predict the catalytic function, if any, of these proteins.
RESULTS
The algorithm implemented by the tool is based on local structural comparison to find the largest subset of similar residues between an input… Expand
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References
SHOWING 1-10 OF 12 REFERENCES
ProFunc: a server for predicting protein function from 3D structure
- Biology, Computer Science
- Nucleic Acids Res.
- 2005
- 571
- PDF
Tess: A geometric hashing algorithm for deriving 3D coordinate templates for searching structural databases. Application to enzyme active sites
- Biology, Medicine
- Protein science : a publication of the Protein Society
- 1997
- 339
- PDF
Structural relationships among proteins with different global topologies and their implications for function annotation strategies
- Biology, Medicine
- Proceedings of the National Academy of Sciences
- 2009
- 82
- PDF
An algorithm for constraint-based structural template matching: application to 3D templates with statistical analysis
- Computer Science, Medicine
- Bioinform.
- 2003
- 194
- PDF
Recognition of spatial motifs in protein structures.
- Computer Science, Medicine
- Journal of molecular biology
- 1999
- 324
- PDF
The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data
- Biology, Medicine
- Nucleic Acids Res.
- 2004
- 608
- PDF
Structural genomics: A pipeline for providing structures for the biologist
- Biology, Medicine
- Protein science : a publication of the Protein Society
- 2002
- 167
- PDF