PyBindingCurve, Simulation, and Curve Fitting to Complex Binding Systems at Equilibrium

Understanding multicomponent binding interactions in protein–ligand, protein–protein, and competition systems is essential for fundamental biology drug discovery. Hand-deriving equations quickly become unfeasible when the number of components increased, direct analytical solutions only exist to a certain complexity. To address this problem allow easy access simulation, plotting, parameter fitting complex at equilibrium, we present Python package PyBindingCurve. We apply software explore homodimer heterodimer formations culminating discovery that under conditions, homodimers are easier break with an inhibitor than heterodimers may also be more readily depleted. This potentially valuable overlooked phenomenon great importance PyBindingCurve expanded operate on any equilibrium system allows definition custom using simple syntax. available MIT license https://github.com/stevenshave/pybindingcurve as source code accompanied by examples easily installable within Package Index.