Introducing ArtiDock 2.0: A New Era in AI-Driven Drug Discovery

Revolutionizing protein-ligand predictions with unmatched accuracy and speed

We are excited to announce the launch of ArtiDock 2.0, marking a significant advancement in AI ligand pose prediction. This latest version of our flagship AI docking model delivers unparalleled accuracy and efficiency in identifying potential binding sites within protein structures, setting a new benchmark in the domain.

ArtiDock 2.0 has been developed to achieve predictive performance at an unmatched speed. By leveraging a proprietary, lightweight model architecture and augmented data from comprehensive real-world datasets, ArtiDock 2.0 ensures high accuracy in protein-ligand interaction predictions without compromising processing speed.

The introduction of ArtiDock 2.0 addresses key challenges in molecular docking, such as the accurate prediction of ligand poses and the reduction of steric clashes, thanks to our enhanced algorithms. This balance of precision and efficiency significantly speeds up the docking process, making ArtiDock 2.0 a crucial tool for high-throughput drug discovery applications.

Supporting this, Figure 1 demonstrates the comparative effectiveness of ArtiDock 2.0 versus established docking methods like Vina and Glide across various RMSD thresholds in the PoseBusters v3 benchmark. This chart underlines ArtiDock 2.0's precision in predicting protein-ligand interactions, which is essential for efficient high-throughput drug discovery.

Figure 1. Performance of ArtiDock and classical docking methods on the PoseBusters v3 Benchmark set (N=308) at different RMSD thresholds.

Receptor.AI’s commitment to innovation is underscored by the early successes of ArtiDock 2.0 within its production virtual screening pipeline. Demonstrating significant hit discovery rates and the identification of lead-like compounds with in vivo activity, ArtiDock 2.0's practical efficacy is evident in these real-world applications.

Looking forward, ArtiDock's upcoming availability on the Nvidia BioNeMo cloud platform will extend its reach, providing biotech and pharmaceutical companies with a powerful tool to accelerate their drug development processes.

The release of ArtiDock 2.0 represents a key milestone in our mission to innovate and enhance drug discovery tools. We anticipate sharing further developments as we refine our platform and contribute to this exciting field.

To learn more about ArtiDock 2.0 capabilities, please refer to our preprint disclosing details about the model architecture, training, and tuning.