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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Justin Purnomo

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Open access Aug 2026

LinkLlama: Enabling a Large Language Model for Chemically Reasonable Linker Design.

LinkLlama is presented, a fine-tuned Meta Llama 3 model that bridges the gap between text-based generation and 3D spatial awareness, offering a highly controllable and chemically robust framework to accelerate linker design and drug discovery in general.

Kun-Yang Sun, Ying-Ze Wang, Justin Purnomo et al. · 0 citations
Open access Jul 2026

CAFE: A Co-folding Approach for Fragment Exploration of Allosteric and Cryptic Binding Sites

Co-folding models hold immense potential for allosteric drug discovery, but have been severely hampered by their systematic bias toward orthosteric ligand binding. While fragment screening has been proposed for allosteric binding site discovery, we show that co-folding models still suffer from memorization in which che...

Justin Purnomo, Kunyang Sun, T. Head-Gordon · 0 citations

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