Simulation of homodimer breaking

Binding curve simulation and experimental data fitting for multi component protein-ligand systems


Simulation of homodimer breaking

Homodimer breaking system Return to tutorials

Homodimer breaking is like a competition experiment, however breaking of the dimer results in two monomers. Example code is available here: https://github.com/stevenshave/pybindingcurve/blob/master/example_homodimer_formation_simulation.py

First, we perform the standard imports:

import numpy as np
import pybindingcurve as pbc

We can choose to work in a common unit, typically nM, or µM, as long as all numbers are in the same unit, the result is valid. We assume µM for all concentrations bellow. Define out homodimer breaking system, titrating in inhibitor:

system_parameters = {"p": 30, "kdpp": 10, "i": np.linspace(0,60), "kdpi": 1}

Create the PBC BindingCurve object, expecting a ‘homodimer breaking’ system:

my_system = pbc.BindingCurve("homodimer breaking")

Add the system to PBC, generating a plot and display it:

my_system.add_curve(system_parameters)
my_system.show_plot()

Resulting in: Homodimer breaking simulation

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