Computational Peptide Drug Design

Revolutionizing Peptide Drug Design and Discovery with Rationally-Guided, Physics-based, and Data-Driven Modeling and AI Methods

Computational drug design seeks to accelerate novel drug discovery and improve outcomes through the rational application of computational tools that include physics-based and data-driven molecular modeling, molecular simulation, and AI methods.

By leveraging our expertise and proprietary computational methods to develop novel peptides across multiple diseases and targets, we’re able to precision engineer future peptide drugs candidates that represent promising candidates for clinical success.

Human Expertise and Therapeutic Peptide Discovery

Eudoxia Life Sciences works with teams of renowned drug design scientists, biophysicists, and biochemists with extensive experience in the development of novel therapeutic peptides.

By combining scientific data sets, AI technology, physics-based modeling and simulation, and human experience and creativity, we are able to efficiently explore and evaluate novel peptides for efficacy, safety and mechanism of action – which saves our partners time and resources in the drug discovery process and promises to provide them with actionable insights to support rational decision making.

The Eudoxia Difference

Experience and Expertise

Eudoxia’s team includes medicinal chemists, biophysicists, and computational scientists with extensive experience in rational peptide drug design. Eudoxia’s scientists have designed peptide drug candidates for diverse protein targets that include GLP-1R, IL2R, CXCR4, TLR2, MC4R, MDM2/MDMX, CDK5, Beta-Catenin, and Factor IX
This expertise, when combined with PepInventus, our proprietary computational peptide drug design platform, can save our partners time and resources in the peptide discovery process and provide them with predictive capabilities and actionable insights that can help support key decisions.


PepInventus is our proprietary computational peptide drug design platform. PepInventus combines the best of all worlds, leveraging the power of physics-based modeling and simulation and data-driven artificial intelligence while still incorporating human expertise and intuition. The rational use of PepInventus allows us to quickly and accurately identify promising peptide drug candidates, illuminate patterns and connections, and ultimately enable successful clinical trials.

Customizable Solutions

We understand that each partner’s needs are unique. That’s why we offer customizable computational drug discovery solutions tailored to meet the specific needs of our partners. Our team works closely with partners to understand their goals and develop a plan that maximizes their chances of gaining scientific insights and clinical success.

Choose Eudoxia Life Sciences for computational peptide drug design and discovery that delivers reliable results, faster, more efficiently, and more scientifically than ever before.