Trusted Science. Delivered the Way You Need.

Structure-Based Design

Take your structure-centric discovery efforts to the next level with solutions that address the unique challenges of studying protein-ligand interactions. Whether you’re looking to dock and score candidates, compare protein binding sites, or estimate free-energy binding affinities, you can trust that OpenEye methods are validated, robust, and scalable.

Trusted Science.

Binding Free Energy Calculation (OE Affinity)

Ultra Large-Scale Virtual Screening (Gigadock™, Gigadock Warp)

Docking (FRED, HYBRID), Posing (POSIT) and Induced-Fit Posing

Rapid and Accurate Conformers Generation (OMEGA)

Fragment Replacement for Molecular Design (BROOD)

Ligand Optimization Based on Nearby Water Energetics (SZMAP/Gameplan)

Force Field Ligand Optimization With and Without Solvent Effects (SZYBKI/Freeform)

Delivered the Way You Need.

Orion® Web-Based Cloud Platform

All you need is a web browser. No hassle with hardware maintenance or data backups. Convenient access to on-demand compute resource. Very flexible.

Desktop and Linux Applications

When you prefer software applications on your local hardware. We support Linux, Windows, or macOS-based systems. Your choice.

Development Toolkits

Creating your own modeling and cheminformatics custom solutions and services was never easier. Get creative.

Consulting Services

Leverage our scientific team’s expertise with many decades of experience in pharmaceutical research. Let us solve your most challenging therapeutic discovery needs. Together.