A ligand is bound to a protein with a spring-like square-law energy e(x), where x is the distance between the ligand and protein as shown in the figure. e(x) = }cx² Protein Ligand (a) For constant (T,V,N), write an expression for the probability distribution p(x) of the ligand separation from the protein. (b) Sketch a plot of p(x) vs x. (c) Write an expression for the average location of the ligand, (x). (d) Write an expression for the second moment of the location of the ligand, (x²). (e) Calculate the average energy, (e) of the system.

Principles of Modern Chemistry
8th Edition
ISBN:9781305079113
Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Chapter20: Molecular Spectroscopy And Photochemistry
Section: Chapter Questions
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15. Modeling ligand binding.
A ligand is bound to a protein with a spring-like square-law energy e(x), where x is the
distance between the ligand and protein as shown in the figure.
e(2) = }ca²
Protein
Ligand
(a) For constant (T,V,N), write an expression for the probability distribution p(x) of the
ligand separation from the protein.
(b) Sketch a plot of p(x) vs x.
Write an expression for the average location of the ligand, (x).
(d) Write an expression for the second moment of the location of the ligand, (x2).
(e) Calculate the average energy, (e) of the system.
Transcribed Image Text:15. Modeling ligand binding. A ligand is bound to a protein with a spring-like square-law energy e(x), where x is the distance between the ligand and protein as shown in the figure. e(2) = }ca² Protein Ligand (a) For constant (T,V,N), write an expression for the probability distribution p(x) of the ligand separation from the protein. (b) Sketch a plot of p(x) vs x. Write an expression for the average location of the ligand, (x). (d) Write an expression for the second moment of the location of the ligand, (x2). (e) Calculate the average energy, (e) of the system.
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