A mathematical model of control of reactivity in biomolecules is described. It is motivated by the extraordinary level of detail new experiments have brought to the understanding of the functioning of the hemoglobin molecule as it interacts with ligands. Experimental evidence has shown that these systems control their activity to ligands by modifying potentials seen by these ligands in response to environmental conditions. We have developed a simple microscopic model of this control mechanism. We employ a density operator formulation which allows computation of such quantities as rebound percentages, rebinding flux, and position distribution moments for rebinding wavepackets. For a specific model of the rebinding barrier we calculate explicit formulae for rebinding probability as a function of time.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry