Naail Kashif-Khan (@naailkhan.bsky.social)

Excited to share our latest preprint at TernaryTx! An in-depth investigation of binding affinity prediction on molecular glues. We compare the performance of the "gold standard" FEP method with Boltz-2, the state-of-the-art in protein-ligand cofolding. chemrxiv.org/engage/chemr...

loading . . .

Optimizing Molecular Glues Using Free Energy Perturbation and Cofolding Methods Molecular glues, a class of small molecules that induce protein-protein interactions, hold significant promise as a therapeutic modality, offering access to new biology unlocking new protein targets w... https://chemrxiv.org/engage/chemrxiv/article-details/68bad5e3728bf9025e961742