Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 16-22 |
| Number of pages | 7 |
| Journal | Chemical Physics Letters |
| Volume | 185 |
| Issue number | 1-2 |
| DOIs | |
| State | Published - Oct 11 1991 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
A density matrix formulation for potential scattering in an oscillating/controlled potential : a model for some biophysical systems. / Schwartz, Steven D.
In: Chemical Physics Letters, Vol. 185, No. 1-2, 11.10.1991, p. 16-22.Research output: Contribution to journal › Article
}
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
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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UR - http://www.scopus.com/inward/citedby.url?scp=44949282995&partnerID=8YFLogxK
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 -