sayeg84.bsky.social
@sayeg84.bsky.social
Reposted
Our development of machine-learned transferable coarse-grained models in now on Nat Chem! doi.org/10.1038/s415...
I am so proud of my group for this work! Particularly first authors Nick Charron, Klara Bonneau, Aldo Pasos-Trejo, Andrea Guljas.
Navigating protein landscapes with a machine-learned transferable coarse-grained model - Nature Chemistry
The development of a universal protein coarse-grained model has been a long-standing challenge. A coarse-grained model with chemical transferability has now been developed by combining deep-learning m...
doi.org
July 18, 2025 at 10:45 AM
Reposted
Awesome to see this epic piece of work, led by @cecclementi.bsky.social, finally appear in @natchem.nature.com.

The development of a general coarse-grained protein forcefield to describe folding, binding and conformation changes without solvent and all-atom, has been long anticipated!
July 18, 2025 at 11:25 AM