What's the Problem?

Proteins are essential mediators in biological processes. Understanding how and why they interact with each other and with other molecules is crucial to reveal their action mechanism, because, once understood, it can be taken advantage of. Examples include drugs inhibiting certain proteins that cause diseases, empowering enzyme catalytic function to improve reaction yields, or virus nucleocapsid structural analysis for drug-delivery purposes. Unfortunately, even with state-of-the-art modeling techniques, it is impossible to determine a protein’s structural function and interactions based primarily on the amino acid sequence.

How are they Solving it?

What makes a protein interact with other proteins or molecules? Can this information be found in their amino-acid sequence? GEOPROT is a general model for proteins that helps identify certain “structural coherence” of proteins based on their amino acid sequence. In other words, our calculation method “decodes'' the amino acid sequence and finds the geometric rules that govern the tertiary structure, and this helps predict protein functions, such as protein-protein interaction. We don’t make protein tertiary structure predictions per se; instead, we determine the underlying geometric properties of the structure that survive the dynamics of protein interactions.

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