- 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
Jun 17, 2025 15:59
- 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/...
