Cooperativity, Absolute Interaction, and Algebraic Optimization

Abstract

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 \texttt{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.