IDEAYA Biosciences, Inc. announced a research collaboration with ATTMOS on March 3, 2025. This partnership aims to accelerate AI/ML-enabled drug discovery for unprecedented first-in-class oncology targets, specifically those currently perceived as 'undruggable'.
The collaboration will integrate IDEAYA's structural biology and pharmaceutical drug discovery capabilities with ATTMOS's expertise in computational chemistry method development, high-performance computing, and software development. The focus is on engineering and optimizing a workflow solution for high-throughput absolute binding free energy perturbation predictions (ABFEP).
This approach is designed to apply physics-based statistical mechanics calculations of protein-ligand affinities at a scale required for virtual screens. The goal is to overcome limitations of current virtual screening methods and accelerate the discovery of novel small molecule oncology therapeutics for unmet clinical needs.
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