Naail Kashif-Khan
@naailkhan.bsky.social
Understanding proteins using computers and AI 🔬💻
Early-stage drug discovery scientist at a startup
Love heavy metal and the Arsenal 🎸🔴
Early-stage drug discovery scientist at a startup
Love heavy metal and the Arsenal 🎸🔴
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...
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...
chemrxiv.org
September 10, 2025 at 12:41 PM
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...