Kd.app.calc: Function that calculates the mM apparent disassociation...
In JPSieg/MetaboMgITC: What the Package Does (One Line, Title Case)

Description Usage Arguments Details Value

View source: R/Thermodynamic_equations.R

Corrects for ionic strength using the using Specific Interaction Theory (SIT)(1) and corrects for pH using pKa's to calculate populations of metal ion binding competent protonation states(2).

Kd.app.calc(
  metabolite = "Glutathione",
  pH = 7.5,
  I = 0.165,
  M.charge = 2,
  A = 0.524,
 
    constants.path = "Binding_constant_concentration_data/210525_Metaboites_binding_Mg_thermodynamics.csv"
)

`metabolite`	The metabolite you want to model an apparant Kd for
`pH`	The pH you want to model an apparant Kd for
`I`	The ionic strength you want to model a Kd for
`M.charge`	The charge of the metal ion
`A`	Constant for SIT at 25 degC
`constants.path`	Path to the file containing critical stability constants for metal ion and proton binding

1 Scatchard, George. Concentrated Solutions of Strong Electrolytes. Chem. Rev. 1936, 19 (3), 309–327. https://doi.org/10.1021/cr60064a008. 2 Mattocks, J. A.; Tirsch, J. L.; Cotruvo, J. A. Chapter Two - Determination of Affinities of Lanthanide-Binding Proteins Using Chelator-Buffered Titrations. In Methods in Enzymology; Cotruvo, J. A., Ed.; Rare-Earth Element Biochemistry: Characterization and Applications of Lanthanide-Binding Biomolecules; Academic Press, 2021; Vol. 651, pp 23–61. https://doi.org/10.1016/bs.mie.2021.01.044.

An apparant Kd in mM (M/1000)

JPSieg/MetaboMgITC documentation built on Dec. 18, 2021, 12:27 a.m.