Matteo Ferla
Computational Chemist
The world of protein–ligand binding is extremely fascinating in my opinion because of the many factors at play. It's a large dynamic system governed by the rules of thermodynamics that cannot quite be properly modelled by approximating atoms as rigid spheres. Our objective is to identify small molecules that can outperform their larger protein counterparts—a true David vs. Goliath scenario. This is possible because of the expansive drug-like chemical space, which harbors compounds capable of forming stronger interactions and achieving superior binding kinetics. The challenge lies in accurately modeling the physics of these interactions, which serves as our modern-day sling in this biochemical battleground.
Personal site: www.matteoferla.com
Github: github.com/matteoferla
Blog: blog.matteoferla.com and www.blopig.com
Twitter: twitter.com/matteoferla