Exploring Polymer-Saccharide Interactions: A Computational Approach for Biosensing Technology
DOI:
https://doi.org/10.61856/hc8bbm40Keywords:
Molecular Docking, Semi-Empirical Methods, Carbohydrate-Polymer Interactions, Theoretical Studies.Abstract
The study employed semi-empirical methods and the molecular mechanics (MM2) force field to calculate the steric energy and heat of formation of glucose in various conformations. The appropriate geometric interactions were confirmed, revealing that Poly-Pyrrole (ppy) interacts specifically with the ß-form of glucose. This finding aligns well with previous studies that used modified pyrrole electrodes to determine glucose experimentally. These results suggest that the molecular docking approach is a suitable method for theoretical studies in biosensor development.
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