Matteo Ferla
Contact information
Research groups
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
Recent publications
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Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors.
Preprint
Ni X. et al, (2025)
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Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology.
Journal article
Ferla MP. et al, (2025), J Cheminform, 17
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Dominant negative variants in ITPR3 impair T cell Ca2+ dynamics causing combined immunodeficiency.
Journal article
Blanco E. et al, (2025), J Exp Med, 222
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Crystal structure of Fatty Acid Thioesterase A bound by 129 fragments provides diverse development opportunities
Preprint
Kot E. et al, (2024)
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Enabling equitable and affordable access to novel therapeutics for pandemic preparedness and response via creative intellectual property agreements.
Journal article
Griffen EJ. et al, (2024), Wellcome Open Res, 9