Copyright 2014 by Marquette University and Evgueni Kovriguine

 

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Equilibrium models

5/13/2011

Contents

  1. Introduction

  2. Models

  3. Notes for developing new models


 


  Introduction

Here I perform derivations of analytical or numeric expressions for all multi-state systems. A number of models were developed previously in EKM16. I copy those derivations here. I always try to reach analytical solution for equilibrium concentrations. When it is not possible I develop expression for a numerical solution. After derivations are performed I do 'common sense' testing of the models---try to produce predictable behavior of the population graphs in a titration, etc.

 

 

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   Models

Location: Mathematical_models/Equilibrium_thermodynamic_models.

 

Model list

 

Original model definitions

Original model summaries created in Adobe Illustrator documents and summarized below in PDF.

NOTE: Newest models have their definitions directly in the corresponding model folders.

NOTE: For models that are solved numerically---keep L/R>=0.01, otherwise numeric solutions are unstable! Same applies to values of constants if you want to 'turn off' a specific transition: make them small but not too small!


NOTE: Not all models are fully implemented.

 

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Intramolecular isomerization (no ligands)

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One binding site (U family)


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Mixture of two one-site receptors binding a ligand

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Two binding sites + additional process (B family)

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Multi-path U models

U-2R

path: IDAP/Mathematical_models/Equilibrium_thermodynamic_models/U-multi-path-models/nR/2U-R

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   Notes for developing new models

For implementation in IDAP, follow these steps:

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