
Trusted Science. Delivered the Way You Need.
Protein & Data Preparation
Preparing protein models and large data is an important but often tedious process. We automated the process of protein, ligand, and data preparation so you have more time to pursue science.

Protein Preparation
Protein Binding Sites (SiteHopper)
Prepare and compare your protein binding site against known- and putative-binding sites for off-target interactions (SiteHopper)
Modeling Toolkits
Modeling toolkits help you create new methods or extend existing functionality for your scientific applications
Ligand and Data Preparation
Rapid and Accurate Conformer Generation (OMEGA)
Estimate pKa Value and Protonation (pKa Prospector)
Tautomer / Protomer Enumeration & Charge Assignment (QUAPAC)
Property Calculation and Filter (FILTER)
Delivered the Way You Need.
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP San Francisco 2025
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniCUP Boston 2025
miniCUP San Francisco 2025
miniCUP San Diego 2025
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniCUP Boston 2025
Resources
Glimpse the Future through News, Events, Webinars and more
Webinar
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
In our first miniWEBINAR of 2025 we were talking about a computational workflow to validate difficult-to-drug protein targets in "Opening up the druggable universe one cryptic pocket at a time" session presented by David LeBard, Head of Enhanced Sampling at OpenEye, Cadence Molecular Sciences,
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Event
miniCUP San Francisco 2025
miniCUP San Francisco 2025 will be held on October 7th, 2025 OpenEye's miniCUP series brings our latest scientific advancements to you. Our upcoming miniCUP San Francisco is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as to learn about the recent updates to the Orion® molecular design platform and our applications and toolkits. Come for the science, and stay for robust discussion at a cocktail reception following the event.
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