Study of Cellulase Enzymes Conformational Changes: Numerical Prediction

This paper is an extension of our previous experimental results to the numerical prediction of the dissociation process relative to cellulase enzymes with increasing temperatures. We have computed the quantities of interest, that is, the pair correlation and bridge functions, using integral equation...

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Bibliographic Details
Published in:Journal of macromolecular science. Physics 2011-01, Vol.50 (1), p.33-40
Main Authors: Ghaouar, N., Belbahri, L., Trabelsi, S., Aschi, A., Gharbi, A.
Format: Article
Language:English
Subjects:
Analytical, structural and metabolic biochemistry
Applied sciences
Biological and medical sciences
bridge function
Cellulase
conformational changes
Correlation
cut-off distance
Density
Enzymes
Enzymes and enzyme inhibitors
Exact sciences and technology
Fundamental and applied biological sciences. Psychology
Hydrolases
Integral equations
Lennard-Jones pair potential
Mathematical analysis
Mathematical models
Natural polymers
Numerical prediction
Physicochemistry of polymers
Proteins
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Summary:This paper is an extension of our previous experimental results to the numerical prediction of the dissociation process relative to cellulase enzymes with increasing temperatures. We have computed the quantities of interest, that is, the pair correlation and bridge functions, using integral equation theory with an appropriate closure relation. The central result of our work is the existence of the cut-off distance; above it the attractive tail of the Lennard-Jones potential becomes negligible and the enzymes reach their globular conformation. The effects of temperature, number density, and potential parameters on the pair correlation and bridge functions are also discussed.
ISSN:0022-2348
1525-609X
DOI:10.1080/00222341003609237