ME/CFS Science Blog
Senior Member (Voting Rights)
Today, we are excited to share an update on our progress towards a new frontier of drug design. We have unlocked a new paradigm of predictive accuracy in understanding our biomolecular world, allowing us to rationally design new medicines on a computer with unprecedented understanding and precision.
We are giving a glimpse at a subset of the powerful and expansive capabilities of the Isomorphic Labs Drug Design Engine (IsoDDE), a unified computational drug-design system, progressing beyond AlphaFold 3 (AF3) in its predictive accuracy and introducing new capabilities which bridge the gap between structure prediction and real-world drug discovery.
We demonstrate that our IsoDDE more than doubles the accuracy of AlphaFold 3 on a challenging protein-ligand structure prediction generalisation benchmark, predicts small molecule binding-affinities with accuracies that exceed gold-standard physics-based methods at a fraction of the time and cost, and is able to accurately identify novel binding pockets on target proteins using only the amino acid sequence as input.
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Link: https://www.isomorphiclabs.com/arti...abs-drug-design-engine-unlocks-a-new-frontier
We are giving a glimpse at a subset of the powerful and expansive capabilities of the Isomorphic Labs Drug Design Engine (IsoDDE), a unified computational drug-design system, progressing beyond AlphaFold 3 (AF3) in its predictive accuracy and introducing new capabilities which bridge the gap between structure prediction and real-world drug discovery.
We demonstrate that our IsoDDE more than doubles the accuracy of AlphaFold 3 on a challenging protein-ligand structure prediction generalisation benchmark, predicts small molecule binding-affinities with accuracies that exceed gold-standard physics-based methods at a fraction of the time and cost, and is able to accurately identify novel binding pockets on target proteins using only the amino acid sequence as input.
....
Link: https://www.isomorphiclabs.com/arti...abs-drug-design-engine-unlocks-a-new-frontier
