Max Bonomi
Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
- ✨ New preprint by Nicolas Portal in collaboration with @vincentmallet.bsky.social 🚀 We incorporate AF2 distograms in #ML protein representations for prediction of ligand binding sites & affinity + protein stability + various RNA properties @pasteur.fr @erc.europa.eu www.biorxiv.org/content/10.6...
- This work follows our previous exploration of AF2 distograms for generating accurate, atomistic ensembles of Intrinsically Disordered Proteins www.biorxiv.org/content/10.1...
- and for refining AF2 models for small molecules virtual screenings www.biorxiv.org/content/10.1...