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 ...

Structure-based virtual screening is a key tool in early drug discovery, with growing interest in the screening of multi-billion chemical compound libraries. However, the success of virtual screening ...

Nowadays, an efficient and robust virtual screening procedure is crucial in the drug discovery process, especially when performed on large and chemically diverse databases. Virtual screening methods, ...

The comparison between virtual screening and physical screening has become a central topic in modern drug discovery, as laboratories seek to balance efficiency and certainty. Advances in computational ...

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 ...

Researchers in China have unveiled a new AI framework that could accelerate the discovery of new medicines. DrugCLIP can scan millions of potential drug compounds against thousands of protein targets ...

Australian researchers, led by Monash University, have invented a new artificial intelligence (AI) tool which is poised to reshape virtual screening in early stage drug discovery and enhance ...