
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.
miniCUP Basel 2025
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP Cambridge 2025
Expanding Orion’s Capabilities with AI
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
miniWebinar: Opening up the druggable universe one cryptic pocket at a time
miniCUP Cambridge 2025
Expanding Orion’s Capabilities with AI
miniWebinar: Faster, Larger, Smarter: Filling the Funnel for Ultra-Large Scale Virtual Screening
Resources
Glimpse the Future through News, Events, Webinars and more
Event
miniCUP Basel 2025
miniCUP Basel 2025 will be held on May 8th, 2025 Registration is now open! miniCUP Basel is a one-day, in-person gathering featuring scientific innovation and updates to the Orion® molecular design platform and our applications and toolkits. Please enjoy robust discussion, networking, and the opportunity to try out Orion at a reception following the event.
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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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