In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

The earliest stage of drug discovery is governed by a simple constraint: there are far more possible drug-like molecules than any pharmaceutical laboratory could ever test. A new deep learning system, ...

This article and associated images are based on a poster originally authored by Lin Chen, Vincent Blay, Pedro J. Ballester and Douglas R. Houston and presented at ELRIG Drug Discovery 2025 in ...

In a recent study published in the journal Science Advances, researchers in Sweden conducted virtual screens of over 16 million compounds using multiple receptor models developed by AlphaFold and ...