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Mathematical Functions for Thermodynamic Properties of Biochemical Reactants
Author

Robert A. Alberty
Organization: Massachusetts Institute of Technology
URL: http://web.mit.edu/alberty/www/alberty.html
Revision date

2005-07-25
Description

This database contains the standard Gibbs energies of formation at 298.15 K for all the species of 199 biochemical reactants (sums of species). This makes it possible to derive functions of pH and ionic strength that give the standard transformed Gibbs energy of formation and average number of hydrogen atoms at 298.15 K for all of these reactants. For 94 of the reactants standard enthalpies of formation at 298.15 K are known for all the species. This makes it possible to derive functions of temperature, pH, and ionic strength at give the standard transformed Gibbs energy of formation, standard transformed enthalpy of formation, standard transformed entropy of formation, and average number of hydrogen atoms for all of these 94 reactants. Loading this packaage makes available 774 complicated mathematical functions. The values of these properties at desired temperatures, pHs, and ionic strengths can be evaluated by use of ReplaceAll (/.x->). These functions for reactants can be added and subtracted to obtain changes in the various thermodynamic properties and apparent equilibrium constants for enzyme-catalyzed reactions. This package extends the usefulness of the package Basic Data for Biochemistry, but does not replace it. This package is also related to Protein Ligand Programs.
Subjects

*Science > Biochemistry
*Science > Chemistry
Keywords

Science, Biochemistry, Physical Chemistry, Biology, Thermodynamics
Related items

*Basic Data for Biochemistry   [in MathSource: Packages and Programs]
*ProteinLigandProg   [in MathSource: Packages and Programs]
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BasicBiochemData3.m (81.4 KB) - Mathematica Package
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BasicBiochemData3.nb (120.9 KB) - Mathematica Notebook