#protein-binding News & Analysis

2 articles tagged with #protein-binding. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

2 articles

AINeutralarXiv – CS AI · Jun 86/10

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ShallowBench: Benchmarking Generative Drug Design Models on Shallow-Pocket Targets

Researchers introduce ShallowBench, a curated benchmark of 5,780 shallow-pocket protein targets, revealing that current generative AI drug design models struggle with low-concavity binding sites common in challenging oncology targets like KRAS and MYC. The benchmark highlights a critical gap in generative biology that requires new architectural innovations to address historically undruggable targets.

AINeutralarXiv – CS AI · May 126/10

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From Holo Pockets to Electron Density: GPT-style Drug Design with Density

Researchers introduce EDMolGPT, a generative AI model that uses electron density data from protein binding pockets to design novel drug molecules. The approach improves upon existing methods by incorporating physically grounded density information rather than empty pocket structures, enabling more accurate molecular generation with realistic 3D conformations.