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Atom mapping with constraint programming

Published:2014-11-29 Issue:1 Volume:9 Page:
ISSN:1748-7188
Container-title:Algorithms for Molecular Biology
language:en
Short-container-title:Algorithms Mol Biol

Author:

Mann Martin,Nahar Feras,Schnorr Norah,Backofen Rolf,Stadler Peter F,Flamm Christoph

Publisher

Springer Science and Business Media LLC

Subject

Applied Mathematics,Computational Theory and Mathematics,Molecular Biology,Structural Biology

Link

http://link.springer.com/content/pdf/10.1186/s13015-014-0023-3.pdf

Reference50 articles.

1. Fujita S:Description of organic reactions based on imaginary transition structures. 1. Introduction of new concepts. J Chem Inf Comput Sci. 1986, 26: 205-212. 10.1021/ci00052a009.

2. Hendrickson JB:Comprehensive system for classification and nomenclature of organic reactions. J Chem Inf Comput Sci. 1997, 37: 852-860. 10.1021/ci970040v.

3. Kotera M, Okuno Y, Hattori M, Goto S, Kanehisa M:Computational assignment of the EC numbers for genomic-scale analysis of enzymatic reactions. J Am Chem Soc. 2004, 126 (50): 16487-16498.

4. Leber M, Egelhofer V, Schomburg I, Schomburg D:Automatic assignment of reaction operators to enzymatic reactions. Bioinformatics. 2009, 25: 3135-3142.

5. Yamanishi Y, Hattori M, Kotera M, Goto S, Kanehisa M:E-zyme: predicting potential EC numbers from the chemical transformation pattern of substrate-product pairs. Bioinformatics. 2009, 25 (12): 179-186. 10.1093/bioinformatics/btp223. doi:10.1093/bioinformatics/btp223,

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