Toward better AI drug discovery: What’s new in TandemViz v2.4.0?

With the introduction of TandemViz in March 2023, we began our journey to revolutionize the drug discovery process. Without the need for downloaded software, computational hardware, or storage, our web-based, user-friendly, and collaborative graphical interface made AI drug discovery accessible to all research teams.

In the year since TandemViz’s initial launch, it has come a long way with several update releases, and we could not be more excited to unveil a host of new features introduced in the latest release, TandemViz v2.4.0, which promise to revolutionize your drug discovery workflows once again. Let's dive in and explore the innovations that are shaping the future of our platform.

Export your molecular dynamics simulations for convenient offline analysis

Our popular molecular dynamics (MD) simulation tools, TandemDynamics and TandemFEP, have been integral for accelerated drug discovery with TandemViz users over the last year. In TandemViz v2.4.0, we’ve made it easy to export any MD trajectory generated through TandemViz to your local system for offline analysis. This new feature allows you to more seamlessly integrate TandemViz tools into any of your current locally operating workflows.

Experience improved visualization of your candidates in the atom mapping interface

Atom mapping is a critical step in the TandemFEP workflow, allowing users to visualize every atom in their candidate molecules. We’ve brought a multitude of improvements to make it easier to spot mistakes and ensure that the most optimal maps are being used. In addition, we have added several quality-of-life improvements, including:

Keyboard shortcuts,
Improved selections,
Atom type information,
Improved coloring
Atom distance representation

Explore easily by dynamically changing the TandemFEP analytics reference

You can now easily change the reference directly from TandemViz’s analytics interface, TandemAnalytics. Simply click on the yellow star in the experimental data pane to select a new reference. This feature will save you time and remove barriers to your exploration of the structure-activity relationships of your candidate molecules.

Let your mind rest with task email notifications

Work efficiently with email notifications introduced in TandemViz v2.4.0. You now have the ability to set up email notifications to alert you whenever a task is completed. A link to the run results will appear in the email to save you time looking. These reminders mean you no longer need to keep checking on progress.

Experience the future of drug discovery with TandemViz V2.4.0

We are proud of what we have accomplished this year and are excited to see what the future holds for 2025. Your valuable feedback motivates us to continue striving for excellence as we continue to build the most user-friendly and comprehensive drug-discovery platform. The features listed above were some of the highlights of what we have done in the past year, but these are only the tip of the iceberg in terms of what’s new in TandemViz v2.4.0.

Learn more in our interactive release showcase