Orion Antibody Discovery Suite

The Orion Antibody Discovery Suite, developed by OpenEye (Cadence Molecular Sciences), is a comprehensive computational platform designed to accelerate therapeutic antibody discovery. By combining 2D and 3D antibody modeling tools, state-of-the-art sequence analysis, and cloud-based infrastructure, the suite empowers protein engineers and scientists to identify potent antibody leads while minimizing developability liabilities. It integrates Specifica's AbXtract™ for antibody sequence analysis and open-source tools such as ImmuneBuilder for structure prediction, all accessible through a convenient web browser interface.

The platform is built for research teams seeking to move efficiently from raw NGS data through structural modeling to lead selection, offering both ready-to-use automated workflows and the flexibility to incorporate in-house or third-party tools. Real-time collaboration, seamless data sharing, and on-demand cloud compute resources make it suitable for teams of all sizes working across distributed environments.

Sequence Analysis Capabilities

• NGS and Sanger sequence analysis powered by AbXtract™
• Sequence clustering to identify diverse antibody families
• Clonotype diversity assessment to uncover more leads from NGS data — increasing clonotype leads five- to ten-fold compared to random colony screening
• Sequence-based developability assessment to flag potential liabilities early

3D Modeling and Molecular Dynamics

• Sequence-to-structure prediction using ImmuneBuilder, a machine learning method for high-throughput 3D model generation
• Structure preparation and structural annotation workflows
• CDR loop ensemble generation using SPRUCE
• Conformation clustering via SiteHopper
• Molecular dynamics (MD) simulations with antibody-specific conformational analyses to sample conformational space of CDR-loop regions
• Novel 3D structure-based clustering of antibodies based on CDR surface patches, independent of sequence length requirements — useful for identifying diverse antibodies binding the same epitope and studying off-target effects

Structural Modification Tools

• Single or multi-point mutation capabilities
• Loop replacement for CDR engineering
• Residue rotor sampling
• Structure optimizer for refining 3D models

Liability and Developability Assessment

• CDR length analysis
• Charge asymmetry evaluation across heavy and light chains
• Hydrophobic patch identification
• Structure-based developability prediction including post-translational modification (PTM) predictions and surface patch detection

Key Scientific Advantages

• Analyze millions of sequences to uncover more leads from NGS data
• Generate 3D structures from sequence at high-throughput scale using machine learning
• Achieve rapid lead selection through AI-based clustering of diverse antibody panels
• Refine 3D models by generating ensemble structures and sampling conformational space with MD simulations
• Improve developability by identifying antibodies with favorable properties and reduced liabilities

Turn-Key Workflow Solutions

• Easy-to-use, ready-to-use Orion workflows (Floes) that can be customized or extended with in-house or third-party tools
• Full web browser-based access — no hardware maintenance or data backup required
• Seamless collaboration features for real-time file management and data sharing among colleagues

Deployment and Delivery Options

• Orion Web-Based Cloud Platform: Browser-accessible with on-demand compute resources and no local hardware requirements
• Desktop and Linux Applications: Available for Linux, Windows, and macOS for teams preferring local software installations
• Development Toolkits: APIs and toolkits for building custom modeling and cheminformatics solutions and services
• Consulting Services: Access to OpenEye's scientific team with decades of pharmaceutical research experience for tackling complex therapeutic discovery challenges