Format

Send to

Choose Destination
See comment in PubMed Commons below
Nucleic Acids Res. 2012 Jan;40(Database issue):D770-5. doi: 10.1093/nar/gkr874. Epub 2011 Nov 7.

eQuilibrator--the biochemical thermodynamics calculator.

Author information

1
Department of Plant Sciences, The Weizmann Institute of Science, Rehovot 76100, Israel.

Abstract

The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

PMID:
22064852
PMCID:
PMC3245061
DOI:
10.1093/nar/gkr874
[Indexed for MEDLINE]
Free PMC Article
PubMed Commons home

PubMed Commons

0 comments
How to join PubMed Commons

    Supplemental Content

    Full text links

    Icon for Silverchair Information Systems Icon for PubMed Central
    Loading ...
    Support Center