Cooperativity, Absolute Interaction, and Algebraic Optimization
Nidhi Kaihnsa, Yue Ren, Mohab Safey El Din, and Johannes W. R. Martini
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Submission date: 22. Jul. 2019
Link to arXiv: See the arXiv entry of this preprint.
We consider a measure of cooperativity based on the minimal absolute interaction required to generate an observed titration behavior. We describe the corresponding algebraic optimization problem and show how it can be solved using the nonlinear algebra tool SCIP. Moreover, we compute the minimal absolute interactions for various binding polynomials that describe the oxygen binding of various hemoglobins under diﬀerent conditions. While calculated minimal absolute interactions are consistent with the expected outcome of the chemical modiﬁcations, it ranks the cooperativity of the molecules diﬀerently than the maximal Hill slope.