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 used both ligand-based drug design (LBDD) and structure-based drug design (SBDD) strategies within the Chemistry42 generative chemistry engine for molecular generation. Building on the ...
The use of artificial intelligence (AI) has been increasing in scientific research and clinical applications. From determining best treatment options for cancer patients, to identifying novel ...
COSMIC (molecular conformation space modeling in internal coordinates) can provide important insights into the 3D positioning and activity of molecules to help drive decisions about drug design. While ...
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 ...
This process is costly, time-consuming, and has a low success rate. KAIST researchers have developed an AI model that, using only information about the target protein, can design optimal drug ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback