Imagine you’re part of a team looking for new potential compunds and screening ultra-vast Chemical Spaces to find the right ones. But running these massive calculations requires serious computing power, and managing all that data can be complicated and time-consuming. That’s where HPSee steps in, making the whole process simpler, faster, and more accessible.
What is HPSee?
HPSee is a smart dashboard designed for teams in drug discovery. It connects directly to your organization’s computing resources and organizes everything needed to perform large-scale virtual screenings. With HPSee, users can explore huge collections of compounds without the usual technical barriers—no need to be an IT expert!
Who Benefits from HPSee?
HPSee is built to support everyone involved in drug discovery, from IT staff to chemists. Here’s how it helps:
- IT/Admin Teams: HPSee makes it easy for IT managers to control who can access computing resources, set permissions, and keep track of compound libraries—all from one place. It’s designed to be flexible, adapting to your team’s needs as projects grow.
- Medicinal Chemists: Don’t have a background in computing? No problem. HPSee allows medicinal chemists to run large compound screenings without needing technical expertise. This way, they can focus on the science instead of the setup.
- Computational Chemists: HPSee eliminates the hassle of managing data across different platforms. It provides a streamlined workspace for computational chemists to run virtual screenings, saving time and reducing manual work.
Key Features of HPSee
- Easy, Scalable Access: Whether your team is working with a few compounds or millions, HPSee scales with you. It’s designed to handle big workloads on your compute clusters, so your team can work efficiently without needing complex setups.
- User-Friendly Interface: HPSee is built to be intuitive. Researchers can set up screenings, manage data, and analyze results all from a single, easy-to-navigate dashboard.
- Seamless Integration: With HPSee, you can start screenings directly in BioSolveIT’s SeeSAR platform, where HPSee will handle the heavy lifting in the background. When the results are ready, they’ll be back in SeeSAR for you to analyze—no more complicated data transfers.
What’s New in HPSee 2.0?
HPSee 2.0 introduces powerful upgrades to make virtual screening even more efficient and precise:
- Chemical Space Docking™ (C-S-D) Integration: HPSee 2.0 now supports C-S-D, enabling rapid, structure-based screening across ultra-large Chemical Spaces with billions or even trillions of compounds.
- Enhanced Pose Generation: The update improves how HPSee generates and assembles molecular poses during docking, speeding up the process without sacrificing accuracy.
- Template Anchoring: HPSee 2.0 now offers template anchoring using co-crystallized fragments or docking predictions, enhancing speed and precision in calculations.
- Streamlined Chemical Space Management: Administrators can now upload and organize Chemical Spaces directly from the HPSee dashboard, making it simple for users to access and select Spaces in SeeSAR.
HPSee brings high-powered virtual screening within reach for any research team, regardless of their technical background. By making large-scale screenings simple and accessible, HPSee speeds up the drug discovery process, helping teams focus on what matters most. It’s not just a simple dashboard; it’s a complete solution for efficient, high-performance drug discovery that grows with your team’s needs.
Take the next step in drug discovery with HPSee —where powerful screening meets ease of use. Learn more about HPSee here