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03_deriveKD_from_lred.py
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03_deriveKD_from_lred.py
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"""
Derive KD from lred
Derive KD for target-ligand complex using microdialysis derived lred values-
compound concentration in the red chamber (with protein),
"""
from microdialysis_equations import *
# 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. If uM is used for concentrations, then ul should be
# used as the standard unit for volume etc.
# - l0 is total compound, or ligand concentration over the entire volume
# if no protein was present (25 equal to starting in the red chamber
# with a conc of 100 µM if chambers are 100 and 300 ul)
# - t0 is target, or protein concentration in the red chamber, kdpc is the Kd
# of pc complex, redvol and whitevol are volumes of respective chambers.
# - redvol is the volume of the red chamber (the protein-containing chamber)
# - whitevol is the volume of the white chamber (the no protein chamber)
# - pc is the partition coefficient of the red and white chambers in a control
# experiment in the absence of protein. A perfectly equlibrating compound
# will have a pc value of 1.0
# - lred is the experimentally determined concentration of compound in the
# red chamber (with protein)
t0=80
l0=50
redvol=100
whitevol=300
pc=1.0
lred=62.32
system_parameters={v:eval(v) for v in ["t0","l0","redvol","whitevol","pc","lred"]}
print("Finding KD for the system in",system_parameters)
print(f"Kd={qud_Kd_from_lred(**system_parameters):.4f}")