example_competition_simulation.py

"""Simulation example 1:1:1 comptition binding"""

import numpy as np
import pybindingcurve as pbc

# We can choose to work in a common unit, typically nM, or uM, as long as all
# numbers are in the same unit, the result is valid.  We assume uM for all
# concentrations bellow.

# Create the PBC BindingCurve object, expecting a 'competition' system.
my_system = pbc.BindingCurve("competition")

# First, lets simulate a curve with no inhibitor present (essentially 1:1)
my_system.add_curve(
    {"p": np.linspace(0, 40, num=200), "l": 0.01, "i": 0, "kdpi": 1, "kdpl": 10},
    "No inhibitor",
)

# Add curve with more inhibtor (i)
my_system.add_curve(
    {"p": np.linspace(0, 40, num=200), "l": 0.01, "i": 10, "kdpi": 10, "kdpl": 10},
    "[i] = 25 uM",
)

# Add curve with inhibitor (i)
my_system.add_curve(
    {"p": np.linspace(0, 40, num=200), "l": 0.01, "i": 10, "kdpi": 0.5, "kdpl": 10},
    "[i] = 10 µM",
)


# Add curve with inhibitor (i)
my_system.add_curve(
    {"p": np.linspace(0, 40, num=200), "l": 0.01, "i": 10, "kdpi": 0.1, "kdpl": 10},
    "[i] = 10 µM",
)
# Add curve with inhibitor (i)
my_system.add_curve(
    {"p": np.linspace(0, 40, num=200), "l": 0.01, "i": 10, "kdpi": 0.01, "kdpl": 10},
    "[i] = 10 µM",
)
# Display the plot
my_system.show_plot()