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 ...

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 ...

VLA screening workflow. A ligand class (left) is parameterized into a virtual ligand (middle left). Parameters are screened to produce a contour map (middle right), which is used to rationally design ...

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