A Boltz-2 generated antibody complex made by the author: Credit: Wohlwend, J., Corso, G., Passaro, S. et al. “Boltz-1 Democratizing Biomolecular Interaction Modeling”, 2024, https://gcorso.github.io/assets/boltz1.pdf Tamarind Bio. State of the art computational tools for biology. (2024). https://www.tamarind.bio/.
Free-energy perturbation (FEP) has long been pharma’s gold standard for gauging how tightly a small molecule binds its protein target, yet each simulation can take 6 to 24…
