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Open Free Energy @openfree.energy · 17/06/2025

Alchemical free energy simulations will remain a crucial step in teh drug design process for their accuracy and reliability, especially in binding pockets that rearrange to accommodate different ligands. www.deepmirror.ai/post/boltz-2... #opensource #compchem #boltz2

deepmirror.ai

Evaluating Boltz-2 on Real Drug Targets: Does it work? | deepmirror

Evaluating Boltz-2 on Real Drug Targets: Does it work?

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Open Free Energy @openfree.energy · 17/06/2025

But the ability of Boltz-2 to predict affinity opens up new possibilities for drug design workflows, like the Affinity Funneling approach that David Pearlman describes here. medium.com/@dapscience/...

medium.com

Boltz-2 vs. FEP? The Wrong Question. Here’s Why They’re Stronger Together

The Boltz-2 AI model lays claim to some amazing improvements in ligand affinity prediction. The greatest value may be in the realms of…

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