Glycoinformatics-assisted Glycosaminoglycan (GAG) Structure Modeling Service
Enabling GAG Research Through Personalized Structural Modeling Solutions
GAG exists as free molecules or binds to different proteins, thereby regulating their structure and function, and playing a vital role in various processes. At CD BioGlyco, we provide a comprehensive glycoinformatics-assisted GAG structure modeling service to meet our client's specific research needs. With our extensive expertise, hands-on experience, and state-of-the-art methodologies, we offer a unique solution for each study.
We use experimental equipment, algorithms, and bioinformatics tools to Analyze and Predict GAG structure. The services provided include the following:
Structure detection
The substitution pattern, charge, length, molecular weight, sequence, and shape of GAGs control their physicochemical properties and biological functions. Accurate assessment of these properties is a prerequisite for understanding GAG function. We perform a detailed analysis of the GAG structure based on our professional analytical platform.
- Nuclear magnetic resonance (NMR) analysis
- X-ray crystallographic analysis
- Other analyses
Structural modeling
We use advanced computational methods, including modeling on computers (using molecular mechanics models to construct 3D molecular structures), and simulation of molecular behavior (molecular docking and molecular dynamics simulations) to correctly characterize the molecular structure, dynamics, and interactions of GAG. When Modeling, we take into account physicochemical features such as electrostatic potential, energy, etc. The modeling steps include the following:
- GAG structure data collection
- Generation of GAG structural model
- Optimization of the GAG structural model
- Evaluation of the GAG structural model
Structure refinement
We iteratively refine the GAG structure model to improve its accuracy. The structure optimization algorithm ensures that the generated model reflects the reasonable dynamics and conformation of GAG.
Publication Data
Technology: Molecular dynamics simulation
Journal: Biomolecules
IF: 6.064
Published: 2021
Results: Due to the heterogeneity, length, and flexibility of GAGs, several challenges are faced in GAG structure modeling. This paper describes the structure, and biological functions of GAGs and reviews recent advances in computational methods for GAG structure modeling, such as molecular modeling, docking, and kinetic simulations. The study of modeling methods will contribute to a deeper understanding of individual cellular processes involving GAGs.
Fig.1 Experimental and computational methods for generating GAG structural models. (Paiardi, et al., 2021)
Applications
- GAG structure modeling is used to characterize the correlation between GAG structure and biological activity and to assess interactions with other molecules.
- GAG is involved in several physiological processes in cells. Its structural modeling plays an important role in exploring the physiological functions of GAG.
- GAG structure modeling is useful for research and drug development in therapeutic approaches for tumors, neurodegenerative diseases, and other therapeutic approaches.
Advantages
- Our glycoinformatics team develops customized GAG structure modeling solutions based on the specific needs of our clients.
- We use advanced computational methods to ensure the reliability and accuracy of GAG structure modeling results.
- We maintain transparency in our GAG structural modeling projects and provide comprehensive modeling results.
Frequently Asked Questions
- What are the functions of GAG?
The structural diversity of GAG provides a high degree of specificity and variety for various biological functions. GAG is involved in some cellular processes such as cell proliferation, migration, and differentiation. It is also involved in immune and inflammatory responses. In addition to this, GAG is involved in pathological processes such as viral infections, tumor issuance, and neurodegenerative diseases. It is used as a target to develop various therapeutic approaches and drugs.
- What is the final deliverable?
During the GAG modeling process, we provide regular updates on the progress of the project. Ultimately, in addition to the GAG modeling results, we provide raw data, detailed analysis reports, and other required deliverables.
As a leader in glycoinformatics, CD BioGlyco is the preferred partner for GAG structure modeling services. We aim to provide accurate and reliable information for our clients' research projects through accurate modeling. Welcome to contact us to discuss the details, if you need GAG structure modeling.
Reference
- Paiardi, G.; et al. A Bittersweet Computational journey among glycosaminoglycans. Biomolecules. 2021, 11(5): 739.
For research use only. Not intended for any diagnostic use.
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