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Affinity Maturation

Our Approach

Based on AI structure prediction and energy modeling, we analyze residue spatial synergy to identify cooperative mutation sites. Through a 1+1>2 strategy, we improve affinity in small-scale libraries. Fewer experimental variants, higher screening accuracy, helping researchers obtain candidates with greater therapeutic potential at an early stage.

Validated Results

3-4x
Site Recall Multiplier
Reduced
Variants Needed
3h
Computation Time

Why Is It Needed?

"In the natural immune system, affinity maturation refers to the process where B cells undergo somatic hypermutation and clonal selection in germinal centers, enabling antibodies to evolve stronger target-binding capabilities. However, animal immunization or conventional design alone can rarely achieve the levels required for drug development."

Key Advantages

Key Advantages

Traditional Limitations

Experience-Based Site Selection

Relies on random mutagenesis or saturation scanning with wide range but low precision; insufficient sampling introduces structural prediction errors.

Massive Library Size

Inefficient screening leads to large experimental volume, low success rate, and significantly increased time and costs.

Lack of Synergy Consideration

Fails to consider cooperative effects of spatially proximal mutation sites, missing 1+1>2 synergy opportunities.

Our Advantages

Multi-Model Fusion for Higher Precision

Combines protein language models and inverse folding models to analyze mutation effects on antigen-antibody binding from both sequence evolution and structural stability, improving mutation screening accuracy and intelligently recommending beneficial mutations.

Structure-Driven Library Design

Based on AI-predicted antigen-antibody complex structures, automatically analyzes residue spatial synergy, identifies cooperative mutation sites, and through a 1+1>2 strategy, helps users improve affinity in small-scale libraries.

Validation

Case Studies

Site validation on monoclonal antibody datasets from the SAbDab database and patent-derived sequences shows hit rates far exceeding random mutation.

AI Predicted
Random
0.00.10.20.30.40.5Position RecallTop80.1230.035Top100.1680.043Top120.2170.052Top150.2650.065Top170.3080.073Top200.3380.086
SAPROT API - Position Recall Comparison
AI Predicted
Random
0.00.10.20.30.40.5Position RecallTop100.0760.043Top150.1230.065Top200.1620.086Top250.2590.108Top300.3160.131
ESMIF API - Position Recall Comparison

Pipeline

Computational Pipeline

The platform supports two starting inputs: when an antigen-antibody complex structure is already available, analysis begins directly from the experimental structure; when only antigen and antibody sequences are available, AI structure prediction is performed first before downstream mutation design.

Path A

Input Antigen-Antibody Complex Structure

Use Experimental Crystal Structure Directly

If the user already provides an antigen-antibody complex structure, the experimentally resolved structure is used directly as the starting point for mutation analysis without re-prediction.

Path B

Input Antigen Sequence + Antibody Sequence

AI Structure Prediction

If only antigen and antibody sequences are provided, the platform first predicts the antigen-antibody complex structure with AI before proceeding to mutation analysis.

AI Mutation Analysis
Mutation Site Selection
Build Multiple Sub-Libraries
Comprehensive Report Output

Report

Report Examples

Below are partial screenshots from the affinity maturation service delivery report, showing the complete workflow from mutation design to affinity prediction evaluation.

Use Cases

Use Cases and Deliverables

Best suited for projects with an existing binding antibody that need higher affinity while preserving the basic binding mode.

3h9,888 credits / antibody / run

Best-Fit Scenarios

You already have a candidate antibody but affinity or functional activity still needs improvement
You want to reduce random mutations and low-value screening
You need mutation suggestions translated into executable sub-library composition plans

Inputs to Prepare

Antigen structure or antigen sequence
Antibody sequence

What You Receive

Affinity maturation report
Detailed mutation-site information
Sub-library composition plan and structural visualization files

What is the advantage over random mutagenesis?

Random mutagenesis covers broad space but has low hit rates and many low-value screens. The platform combines protein language models, inverse folding models, and structural information to prioritize mutations more likely to improve binding with lower structural risk.

Why consider synergy between spatially proximal sites?

Affinity improvement often does not come from a single site alone. Spatially proximal residues can have synergistic 1+1>2 effects. Structure-driven analysis identifies these combination opportunities so smaller sub-libraries have a better chance of meaningful improvement.

AI-Driven, Precise Antibody Affinity Optimization

Fewer experiments, higher accuracy — helps you rapidly advance from candidate antibodies to high-affinity drug molecules.