Introducing Optimapper: auto-optimized FEP networks for diverse ligand sets

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Unleash the power of?Optimapper, TandemAI's latest breakthrough in FEP network optimization

With our novel CoreHopping Binding Free Energy (CBFE) approach, you can now digitally assay structurally diverse compounds with the same accuracy as relative binding free energy (RBFE) calculations, but at a significantly lower computational cost than more traditional absolute binding free energy (ABFE) calculations.

Optimapper,?our latest innovation, streamlines the TandemFEP workflow by automatically combining RBFE and CBFE calculations into an optimal network. This improvement greatly facilitates the processing of datasets with a mix of congeneric ligands and larger core hops so you don’t have to worry about manual edge assignment. Still, you remain in the driver's seat and can override any assignment after careful analysis. ?After network generation with Optimapper, a similarity score for each edge allows you to gauge the effectiveness of the assignment.

Optimapper, your route to FEP excellence.

What’s new in TandemViz v2.7.0?

• Improved edge table calculations and functionality in TandemFEP and TandemEnergy, e.g., New TandemEnergy edge picker simplifies running FEP on edge subsets
• Interactive distance plots for full molecular dynamics trajectory analysis
• On-the-fly dataset modifications with partial result preservation?
• Easily add and remove nodes in TandemViz experiments
• Sleek, redesigned login and dashboard with enhanced functionality

Explore more: TandemViz - Next Generation Discovery Platform

Check out our release notes: TandemViz v2.7.0 Release Overview

Sign up to our upcoming Webinar to watch Optimapper and other game-changing features in action!

Webinar sign up: TandemViz v2.7.0 new release webinar

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About TandemAI

TandemAI is a pioneering technology company with a dedicated mission to reshape and accelerate the discovery process from hit ID to candidate delivery. We seamlessly integrate cutting-edge AI-driven technologies and physics-based computational methods to transform the path from compound design to data generation. Bolstered by high-performance in-house computation resources and extensive wet lab operations, TandemAI delivers an all-encompassing, ready-to-use solution for drug discovery.

TandemAI's next-generation user interface, TandemViz, is cloud-enabled and browser-based for easy access and collaboration. Its data-centric design enables streamlined data consolidation and access to high-performance computational tools for drug discovery projects. Our strategic vision aims to accelerate your drug discovery processes, providing both our partners and the global scientific community with cost-effective opportunities. Discover more about TandemAI's initiatives by visiting www.tandemai.com.