competitive-binding-simulator

A simple simulator for competitive binding experiments, e.g. fluorescence polarization. Equations taken from: Michael H. A. Roehrl, Julia Y. Wang, and Gerhard Wagner, Biochemistry 43, 16056 (2004).

Depends on: matplotlib, numpy

usage: competitive_binding_sim.py [-h] [-o OUTPUT] [-kd KD] [-ki KI]
                                  [-rt RECEPTOR_TOTAL] [-lt LIGAND_TOTAL]

Plot simulated competitive binding curves for the input values

optional arguments:
  -h, --help            show this help message and exit
  -o OUTPUT, --output OUTPUT
                        Output filename for plot
  -kd KD, --kd KD       Binding constant for the labeled ligand (micromolar)
  -ki KI, --ki KI       Binding constant for the competitor (micromolar)
  -rt RECEPTOR_TOTAL, --receptor_total RECEPTOR_TOTAL
                        Concentration of receptor (normally protein;
                        micromolar)
  -lt LIGAND_TOTAL, --ligand_total LIGAND_TOTAL
                        Concentration of labeled ligand; micromolar

Notes:

• it is assumed that competition is "complete"; i.e. binding of the labeled ligand and competitor are mutually exclusive
• no sanity checks are performed on inputs at present
• units for all input parameters are micromolar