TY - JOUR
T1 - A density matrix formulation for potential scattering in an oscillating/controlled potential
T2 - a model for some biophysical systems
AU - Schwartz, Steven D.
N1 - Funding Information:
SDS acknowledges the donors of The Petroleum Research Fund administered by The American Chemical Society for partial support of this work. It is a pleasure to thank Joel Friedman for many stimulating discussions regarding the biophysics of hemoglobin ligand interactions.
PY - 1991/10/11
Y1 - 1991/10/11
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(91)80132-H
DO - 10.1016/0009-2614(91)80132-H
M3 - Article
AN - SCOPUS:44949282995
VL - 185
SP - 16
EP - 22
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-2
ER -