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 ...

Researchers aim to streamline the time- and resource-intensive process of screening ligands during catalyst design by using virtual ligands. Researchers aim to streamline the time- and ...

Virtual screening can be approached in several ways, depending on whether the comparison is based on the known small molecule binders (ligands) or the target protein structure. Ligand-based virtual ...

The size of compound libraries amenable to standard virtual ligand screening (VLS) approaches is limited by the time and cost involved in screening. To keep pace with the increasing size of virtual ...

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 review published in the journal Nature, researchers examined recent breakthroughs in ligand discovery tools, their potential to reshape the drug research and development process, and the ...

Chinese researchers have developed an artificial intelligence-powered virtual drug screening platform that achieves a millionfold increase in screening speeds and a significant improvement in ...

(Nanowerk News) Researchers at the Institute for Chemical Reaction Design and Discovery and Hokkaido University have developed a virtual ligand-assisted (VLA ...