3dpredict/Ab is a Software-as-a-Service (SaaS) platform that streamlines decision-making in antibody discovery by allowing rapid antibody developability assessment.
Its ensemble-based predictions help overcome the single-structure bias, supporting quick candidate selection and progression through the discovery pipeline.
The platform allows antibody modelers and engineers to identify potential liabilities and compare antibody variants based on physics-based property calculations.
Its scalable cloud architecture supports high-throughput screening and can be integrated with existing discovery workflows for efficient data management and analysis.
Successfully prioritize antibodies to accelerate your lead optimization phase
Ensemble-based predictions at your fingertips
Accurate antibody developability insights from ensemble-based protein property calculations accounting for pH-dependence and flexibility
User-friendly platform built for efficient discoveries
Intuitive web-based interface designed for both small and big antibody discovery groups in pharma and biotech
Instant access to focus on science, not IT hassle
Immediately accessible through a highly reliable and secure cloud environment (ISO 27001) without any deployment efforts
Streamline your antibody discovery workflows with accurate ensemble-based predictions
Sequence/structure upload & calculations setup
Submit antibody sequences or structures through the UI or API, with multiple input file types (FASTA, XLSX, PDB).
Explore several antibody formats, including Fv, scFv, VHH, Fab, bispecifics, ADCs, and custom constructs.
Set up calculations for conformational and charge (pH) sampling.
Structural ensemble generation & property calculations
Generate structural ensembles using stochastic titration and accelerated grand canonical sampling to capture conformational and protonation-state variability.
Compute 100+ global and residue-level properties/descriptors to assess antibody stability, solubility, charge distribution, and other developability-relevant features.
Simulate complex molecular systems, including non-natural amino acids and conjugated systems.
Developability & liability screening
Leverage a high-performing proprietary algorithm based on four determined rules for therapeutic antibody profiling against clinical-stage antibodies (Thorsteinson et al; mAbs 13 (2023) 219-235).
Perform large-scale, high-throughput screening to rank and prioritize antibody candidates early in discovery.
Automatically detect liability hot spots, including aggregation-prone regions, and PTMs.
Visualize surface features through standardized 2D protein patch maps.
Analysis & prioritization
Leverage sequence visualizer to assess annotated liabilities.
Identify germline sequences for potential back-mutations and compare residue-level properties across candidates.
Map detected liabilities back to the 3D structure to decide on the next optimization move.
Identify outliers within your reference dataset using customizable coloring rules and multiple plotting options for clear visual comparison.
Export ensemble-derived properties for ML model training or building applications.
What’s new
3dpredict/Ab releases: Discover major updates for improving antibody developability property predictions
3dpredict/Ab 2025.09
This new version allows users to build custom reference collections, calculate properties of non-standard antibody formats (such as ADCs), and explore multiple new property plots for enhanced visualization and analysis.
High throughput
3dpredict/Ab can process large antibody sets in parallel, performing up to 30,000 ensemble calculations per day to support early identification of candidates with favorable properties and reduced liabilities.
Secure cloud environment
Discngine complies with ISO 27001 standards for information security, ensuring high protection of research data. We offer secure application and data hosting on the Discngine Cloud Infrastructure, fully managed by our experts.
Integration
The REST API allows seamless integration with your in-house IT ecosystem to complement commonly used tools with high-quality insights for data-driven decision-making.
3dpredict/Ab was developed in collaboration with Chemical Computing Group (CCG).
