Abstract
We formulate a derivation of host : guest = 1 : N equilibrium model for the purpose of giving an alternative approach to deal with cooperative problems and carefully take a look at three cases of cooperativity factors given three different concentrations. This would take a minor assumption given a hypothetical host-guest complex with a vertical plane of symmetry. These works would help giving an intuition for the researchers who evaluate binding constant and stoichiometry. We also considered Job plots frequently used in supramolecular host-guest chemistry. All simulations using Newton-Raphson method were conducted in simple Python codes.
Supplementary materials
Title
Supplementary Information
Description
Newton-Raphson method for titration simulation
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Title
Positive Cooperativity Simulation
Description
Positive Cooperativity Simulation by Newton-Raphson method
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Title
None Cooperativity Simulation
Description
None Cooperativity Simulation by Newton-Raphson method
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Title
Negative Cooperativity Simulation
Description
Negative Cooperativity Simulation by Newton-Raphson method
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Supplementary weblinks
Title
Supplementary Information of Simulation using Newton-Raphson Method for a Hypothetical Divalent Complex with a Vertical Plane of Symmetry
Description
Newton-Raphson method for titration simulation.
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