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Gigadock™ Warp: Intelligent Docking for Billions of Molecules

Gigadock™ Warp: Intelligent Docking for Billions of Molecules

The miniWebinar "Gigadock™ Warp: An Intelligent and Cost Effective Docking Method for Billions of Molecules”, presented by Mark McGann, PhD, Principal Developer, is now available for on-demand viewing. This webinar was broadcast live on February 17th, 2022.

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Webinar Summary

In this miniWebinar we will highlight the latest new science in Gigadock Warp.

Gigadock is a robust and widely used industry-standard method to dock billions of molecules on OpenEye's Orion® molecular design platform. While extremely fast and efficient, Gigadock's approach of fully docking every molecule can be expensive to run. Screening Gigadock against several billion molecules, such as the Enamine REAL® database, can cost tens of thousands of dollars. Gigadock Warp is a new method of docking billions of molecule in Orion that leverages OpenEye's FastROCS™ (shape) technology with docking to approximate a full Gigadock run. Gigadock Warp runs cost ~1/8th of a normal Gigadock run, and produce nearly identical output hit lists. Learn how you can use Gigadock Warp's fast, intelligent docking for your drug discovery at an extremely affordable computation cost.

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