Ultrafast 3D Docking in Orion
Docking methods can help you uncover diverse sets of promising compounds for your therapeutic projects.
OpenEye provides two ultra-fast docking approaches for uncovering diverse hits, within the Orion® cloud modeling platform. Whether you are searching a small set of compounds or a library of billions, we have the solution for you.
- Gigadock™ - Fast, robust and comprehensive docking solution - when you need the most rigorous results
- Gigadock™ Warp - Intelligent docking (dock + shape similarity) at unparalleled speed and efficiency - when time and compute cost are critical
OpenEye’s (Gigadock™) novel technology seamlessly implemented on the Amazon cloud has been a game-changer for our computational approaches to drug discovery. We have leveraged these tools to make significant progress on multiple targets. -- Sunny Al-Shamma, CEO of Beacon Discovery.
- Fast. Massively parallel docking approaches that efficiently leverage thousands of CPUs from AWS
- Reliable. Industry standard methodology with a proven track record of success and numerous published results
- Robust. Dock from tens to billions of molecules seamlessly
- Accessible. Access anywhere from the convenience of your web browser
- Extendable. Perform virtual screening on your in-house corporate collections or on billons of commercially available compounds
- Flexible. Use optimized default parameters or customize your runs by fine-tuning various parameter settings.
Industry scientists using OpenEye's fast virtual screening to discover novel compounds
The results that Beacon has achieved using the Orion Platform have been nothing short of amazing…I would whole-heartedly recommend the Orion Platform to anybody that is trying to do any kind of small molecule virtual screening.
Whether you need to do 3D docking against tens or billions of compounds, Gigadock and Gigadock Warp provide you with the ultimate choice for the best in science, cost, and speed.
Gigadock for lead generation. (a) Co-crystal ligand, a 53mm inhibitor, bound to the HSP90 active site. (b) Results from Gigadock against Enamine library. Top scoring compound, a 4mm inhibitor, docked to HSP90.
OpenEye’s extremely fast docking methods help you use 3D information to speed up your drug-design process and optimize your leads. Learn more about how Gigadock works by watching this webinar recording:
Gigadock™ - Structure Based Virtual Screening of Over 1 Billion Molecules.
And, learn how the Eurofins Beacon Discovery scientists quickly identified two novel chemical entities and more than 30 potent hits for GPCR targets. Their team utilized structure-based virtual screening through Gigadock functionality and ligand-based virtual screening through FastROCS to rapidly screen the Enamine REAL® collection of more than 2.5Bn commercially available molecules. Access the news release and the recorded webinar.