GENEOnet: Artificial Intelligence Unveils the Key to Protein Binding Sites
Finding new medicines often begins with a simple but critical question: where can a drug attach to a protein? The answer lies in identifying “binding pockets”, tiny regions on proteins where molecules can interact and trigger therapeutic effects. Traditionally, this search has been slow and complex, especially when experimental data is missing.
GENEOnet is changing the game. Developed by a team of scientists and engineers, led by Dompé, GENEOnet is an innovative artificial intelligence tool designed to scan proteins and pinpoint these strategic pockets quickly and reliably. By combining advanced machine learning with scientific expertise, GENEOnet offers a new way to support drug discovery-making the process faster, more accurate, and more accessible.
Unlike traditional methods, GENEOnet analyzes the 3D structure of proteins using a streamlined, explainable approach. It highlights the most promising pockets for drug binding, even when only limited data is available. The system is user-friendly and requires fewer parameters, which means lower costs and faster results. Scientists can now prioritize where to focus their efforts, reducing false positives and accelerating the development of new treatments.
Recent studies show that GENEOnet outperforms standard tools in identifying the correct binding pockets. It adapts well to different protein types and is already available online for the global scientific community. This technology has the potential to speed up virtual screening, improve the accuracy of drug design, and make advanced research tools available to more people worldwide.
GENEOnet demonstrates that “less can be more”: with fewer parameters and more built-in knowledge, it delivers better results. Discover more and try the free web service at https://geneonet.exscalate.eu. For further details, read the full paper published from Nature Publishing Group, in the Scientific Reports journal here