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 ...

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 ...

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 have developed a new computer framework that holds promise in the work to discover new drugs. Their framework uses an artificial intelligence method called convolutional neural network to ...

(Nanowerk Spotlight) The pursuit of more efficient organic electronics, from OLED displays to organic solar cells, has been an enduring challenge across materials science. But the vastness of possible ...