Publications by authors named "Riccardo Aguti"
RNA molecules play many functional and regulatory roles in cells, and hence, have gained considerable traction in recent times as therapeutic interventions. Within drug discovery, structure-based approaches have successfully identified potent and selective small-molecule modulators of pharmaceutically relevant protein targets. Here, we embrace the perspective of computational chemists who use these traditional approaches, and we discuss the challenges of extending these methods to target RNA molecules.
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- Allostery is a complex way that molecules, like proteins, interact and work together, affecting how they function in our bodies.
- This article looks at different computer methods to study how different parts of proteins communicate with each other, especially in important medicines.
- The results showed that while some ideas agree, different methods might focus on different areas of the proteins and how they connect with one another.
The choice of target pocket is a key step in a drug discovery campaign. This step can be supported by druggability prediction. In the literature, druggability prediction is often approached as a two-class classification task that distinguishes between druggable and non-druggable (or less druggable) pockets (or voxels).
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