Peptide Modeling
Precision Modeling for Peptide Success
Streamlining the Peptide Development Lifecycle
Navigating the complexities of peptide development requires overcoming significant hurdles in stability, precise delivery, and clinical predictability. Our in silico platform addresses these challenges by replacing traditional trial-and-error with high-fidelity computational modeling.
- Overcoming poor membrane permeability and rapid enzymatic degradation through data-driven and physics-based approaches.
- Eliminating stability issues and aggregation risks early in the development lifecycle.
- Optimizing targeted delivery systems to ensure therapeutic concentrations reach the desired site of action.
- Mitigating off-target effects and immunogenicity risks using in silico methods
Key Solution Areas
Solution area
Peptide Discovery
Harness generative AI and high-throughput screening to design and screen novel high-affinity candidates for a given target.
- De Novo Design: Architect novel, high-affinity peptide sequences using advanced computational modeling.
- Virtual Screening: Rapidly scan vast peptide libraries to identify potent, drug-like lead candidates for a given target. We can customize a high-throughput screening workflow to eliminate off-target promiscuity and refine therapeutic selectivity.
- Target Interaction: Map peptide docking and its induced conformational modulation to ensure strong and effective target engagement.
Solution area
Formulation Design
Predict and prevent physical instabilities like aggregation before they reach the bench. Our solutions optimize developability properties, ensuring the peptide remains stable under formulation conditions.
- Developability Profiling: Scorecards for predictions around solubility (in different solvents), aggregation, permeability, etc., to ensure robust peptide stability.
- Conformational sampling: Efficient and fast in silico workflows to sample conformational space and understand associated properties (pKa, solubility, permeation, etc.)
- Ionic Liquid Modeling: Advanced in silico optimization for stable, high-concentration mAb and peptide formulations.
Solution area
Peptide Delivery
Solve the permeability puzzle by modeling how peptides interact with biological membranes and permeability enhancers. We design smarter delivery vehicles and chemical modifications to ensure your molecule reaches its target without premature degradation.
- Permeation Enhancement: Evaluate permeation enhancers to maximize membrane permeability and oral bioavailability.
- LNP Delivery Systems: Design Lipid Nanoparticle carriers using molecular simulations for targeted peptide delivery. Learn more.
Solution area
Clinical Pharmacology
Bridge the gap between lab and clinic with high-fidelity PK/PD simulations and metabolic profile assessments. By accurately predicting pharmacokinetic parameters and drug-target dynamics, we optimize dosing strategies and refine the therapeutic window for a smoother regulatory path.
- PK/PD Optimization: Data-driven approach to estimate peptide half-life, bioavailability, and metabolic hot spots.
- Immunogenicity Assessment: Specialized in silico studies evaluate potential immune responses and therapeutic safety profiles.
- Toxicity Screening: Advanced predictive modeling for hemolysis and cytotoxicity ensures rapid clinical safety validation.