Computational methods are universally accepted as important tools for the invention of antibody drugs, helping with tasks such as optimizing affinity for a target, minimizing glycosylation modifications, and optimizing pharmacokinetic properties. Creative Biolabs is dedicated to establishing the most exquisite service platform for our clients and the one-stop antibody discovery services can provide comprehensive technical support for advancing our clients’ projects.
A core challenge for computational antibody engineering is predicting the structure of the antibody from sequence. This is of a specific case of general protein structure prediction problem, but antibodies present both special advantages and special challenges relative to other proteins. Antibodies are made of two types of chains namely the light chain and the heavy chain, each of which has multiple domains. The structure of an antibody can be divided broadly into two domains, the constant domain and the antigen-binding domain. Antigen binding is mediated by six hypervariable loops that form the Complementarity Determining Region (CDR) present on the antigen-binding domain.
Prediction of the antibody modeling can be summarized into annotating the sequence into structurally equivalent residues of the framework and CDR, modeling the framework, modeling the CDR loops, and predicting or optimizing the VH-VL orientation. Computational methods have also played an important role in understanding how mutations improve binding affinity. Another challenging application of computational designs in antibody engineering is to predict aggregate-prone regions(APRs) from amino acid sequences and to design aggregate-resistant antibodies by introducing mutations in those regions. Currently, several computational methods are available to predict APRs and rates of aggregations, mainly based on the sequence composition and on propensities such as hydrophobicity, charge, and secondary structure propensity.
Fig.1 Schematic representation of the structure of an antibody.
Computational resources are increasing and algorithms, and molecular mechanics force fields are becoming more accurate to model molecular behaviors, especially local rearrangement. Thus, molecular modeling techniques are becoming popular to engineer antibodies.
We can provide a variety of computational antibody engineering approaches to meet customers’ specific requirements.
Creative Biolabs is a leading service provider that focuses on antibody engineering for research, diagnostic and therapeutic use. We have devoted to the field of antibody engineering for over decades and established a series of comprehensive platforms to integrate various antibody engineering services. With the extensive experience, abundant industry knowledge and advanced technical skills, our scientists are fully confident in accomplishing even the most challenging antibody engineering project. For more detailed information, please feel free to contact us or directly sent us an inquiry.
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