Computational Glycoengineering-assisted Specific Modeling Service

Promoting Special Modeling with Confidence

With advanced computational tools, CD BioGlyco rationally designs glycosylation and thus alters the biological functions of glycoproteins by intervening in culture or genetic modification. With the continuous optimization of computational models, glycosylation engineering strategies are becoming more and more convenient and accurate. We utilize Machine Learning and Deep Learning to provide our clients with custom model development services that advance glycobioinformatics.

Model development

Our researchers have years of experience in computational modeling to help our clients complete modeling quickly. Based on the biological information provided by our clients, we provide reliable model construction, training, and validation services. Our team calibrates the parameters to match the test data before using the model as a predictive tool.

Prediction and analysis

Our lab provides high-quality molecular dynamics simulation services, molecular docking, site prediction, and conformational effect analysis services.

Our lab provides binding free energy prediction and calculation services for active small molecules.

Our lab provides a professional screening service. Our clients choose according to their needs.

Flowchart of model parameter calibration. (CD BioGlyco)

In-silico Glycoengineering Prediction Service

With cutting-edge technology and leading algorithms, CD BioGlyco provides an emerging low-parameter model-in-silico model construction services including glycoprofile prediction, reaction efficiency calculations, molecular dynamics simulations, and analysis of dynamic changes in glycoforms.

TGP Glycosylation Prediction Service

Based on machine algorithms and molecular signature databases, CD BioGlyco provides accurate TGP glycosylation prediction services to clients. Our researchers improve the accuracy of predictive models based on model training and data validation.

Biopharmaceutical QA Prediction Service

Relying on advanced algorithms, CD BioGlyco provides professional predictive modeling services for evaluating biopharmaceutical QA. Our researchers combined multivariate data analysis to determine the correlation between critical process parameters and critical quality attributes.

Hyper-glycosylated Analog Design Service

Relying on a team of experienced experts, CD BioGlyco provides high-level glycosylation mimic design services including potential glycosylation site selection, new glycosylation site introduction, homology modeling, structure design, and molecular dynamics simulation services.

Carbohydrate Antibody Development Service

Based on machine learning and bioinformatics tools, CD BioGlyco provides a range of carbohydrate antibody development services such as database modeling, variable domain modification, and antibody sequence analysis services. We provide Carbohydrate Antibody Structure Prediction, Structure Design, and Domain Glycosylation services.

Carbohydrate Antigen Development Service

Combining experimental and computational methods, CD BioGlyco provides high-quality carbohydrate antigen development services such as epitope prediction, binding site analysis, and free energy prediction. Moreover, we mainly provide Carbohydrate Antigen Structure Prediction and Carbohydrate Antigen Structure Design services.

Publication

Technology: Random forest algorithm, Model training, Algorithm comparison

Journal: Chemical science

Published: 2021

IF: 8.4

Results: In this work, the researchers used a glycosylation reaction dataset and a random forest algorithm to predict the stereoselectivity of glycosylation. The spatial and electronic contributions of chemical reagents and solvents were calculated by quantum mechanics. The results show that the optimized model has the ability to predict the stereoselectivity of nucleophilic reagents, electrophilic reagents, acid catalysts, and solvents. The model accurately predicts not only the stereoselectivity of glycosylation but also the stereoselectivity of reactions based on nucleophilic and electrophilic reagents.

Fig.1 Permanent and environmental factors on stereo selectivity. Fig.1 11 Factors affecting the stereoselectivity of glycosylations. (Moon, et al., 2021)

Applications of Computational Glycoengineering-assisted Specific Modeling

Computational glycoengineering-assisted specific modeling can be applied to biopharmaceutical quality control.
Computational glycoengineering-assisted specific modeling can be used for bioprocess modeling and glycoprofiling.
Computational glycoengineering-assisted specific modeling can be used for conformational catalytic process analysis.
Computational glycoengineering-assisted specific modeling can be used to design and development of a range of glycosylation products.

Advantages of Us

CD BioGlyco has advanced glycobioinformatics analysis tools and database resources to efficiently process large-scale biological data and perform in-depth glycobioinformatics analysis.
CD BioGlyco has extensive research experience and technical experience in addressing a wide range of glycobioinformatics analysis challenges and delivering high-quality data analysis results.
Our team consists of experts with multi-disciplinary backgrounds, such as bioinformaticians, statisticians, computer scientists, glycobiologists, etc., who can synthesize and apply knowledge from various disciplines to solve complex bioinformatics problems.

Frequently Asked Questions

What are the influencing factors of glycoengineering modeling?
- Impact factors related to modeling include enzyme kinetics, enzyme localization, enzyme expression levels, site accessibility, sugar dolichol concentrations, translocation rate, protein production rate, primary sequence, and carbon source.
What is modeling macroheterogeneity and microheterogeneity?
- Microheterogeneity refers to protein heterogeneity induced by variability at specific glycosylation sites. Microheterogeneity refers to the protein heterogeneity caused by changes in glycan residues at the corresponding site.

With the continuous development of systematic glycobiology and computational tools, CD BioGlyco offers customized specific glycoengineering modeling services. Depending on the client's needs, our lab offers the most appropriate solutions. Please feel free to contact us.

Reference

Moon, S; et al. Predicting glycosylation stereoselectivity using machine learning. Chemical science. 2021, 12(8): 2931-2939.

For research use only. Not intended for any diagnostic use.

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