Protein Mutation Prediction

CD ComputaBio is a leading provider of computational biology services dedicated to assisting researchers and pharmaceutical companies in accelerating drug discovery and development. Our protein mutation prediction service utilizes advanced computer-aided drug design techniques to accurately predict the effects of protein mutations, helping to identify potential disease-causing mutations and design targeted therapies.

Our Services

At CD ComputaBio, we offer comprehensive protein mutation prediction services that provide valuable insights into the functional consequences of protein mutations. Our team of experts utilizes state-of-the-art algorithms and cutting-edge computational tools to provide accurate and reliable predictions. Through our services, we can help our clients:

• Prediction of Mutational Effects: We accurately predict the effects of protein mutations on protein structure, stability, molecular interactions, and functional activity. This information enables researchers to understand the functional consequences of mutations and design appropriate interventions.
• Disease Mutation Analysis: We provide in-depth analysis of disease-associated mutations to support disease diagnosis, treatment and drug discovery. Our services help identify disease-causing mutations, assess their impact on protein function, and prioritize potential targets for therapeutic intervention.
• Novel Mutation Screening: We assist in screening novel mutations to identify potential functional and pathogenic mutations. Our services help identify disease-associated mutations in large-scale mutation datasets, advancing the understanding of genetic variants and their potential impact.

Our Strengths

Figure 2. Structure and Mutations of SARS-CoV-2 Spike Protein. (Mehra R, et al. 2021)

• Structural Impact Prediction: We utilize advanced algorithms to predict the impact of mutations on the 3D structure of proteins, including changes in secondary structure, stability and solvent accessibility.
• Functional Impact Prediction: Our computational models analyze the impact of mutations on protein function, such as enzyme activity, ligand binding, or protein-protein interactions.
• Stability prediction: We predict the thermodynamic stability of mutant proteins to identify destabilizing mutations and design more stable variants.
• Binding affinity prediction: Our algorithms estimate the binding affinity of protein-ligand complexes, providing insight into how mutations affect the strength and specificity of protein-ligand interactions.

Algorithms

AI-informed Protein Mutation Prediction

AI-informed constraints for protein engineering (AiCE), is a robust tool for mutation prediction. AiCE effectively identifies high-fitness single and multi-mutations using protein inverse folding models. It also enables the development of precise and efficient base editors, and supports engineering of proteins with varying sizes, structures, and functions. AiCE can be applied to eight protein engineering tasks, including deaminases, a nuclear localization sequence, nucleases, and a reverse transcriptase, spanning proteins from tens to thousands of residues, with amazing success rates. Base editors for precision medicine and agriculture have been developed, including enABE8e, enSdd6-CBE, and enDdd1-DdCBE with AiCE.

Performance evaluations have shown that AiCE can systematically improve the fundamental performance of various AI models. For example, when applied to the ProteinMPNN model, its prediction accuracy was significantly improved, reaching nearly double the performance of other advanced methods such as Natural homologs and ESM3-open. Furthermore, AiCE's superior performance extends beyond theoretical data. In tests on a variety of complex systems, including the gene-editing systems Cas9 and AsCas12f, as well as influenza and SARS-CoV-2 proteins, AiCE also consistently and efficiently predicted highly active mutations, demonstrating its robust generalization capabilities.

Why Choose Us?

Partner with CD ComputaBio for reliable and accurate protein mutation prediction services. Our expertise and advanced computational tools will provide vital insights into the impact of mutations on protein function, thereby facilitating the development of targeted therapies. Contact us today to discuss your project needs and learn more about our services.

Reference:

1. Mehra R, Kepp K P. Structure and mutations of SARS-CoV-2 spike protein: a focused overview. ACS infectious diseases, 2021, 8(1): 29-58.