The MIT model predicts molecular binding affinity at newfound speed and accuracy, offering a powerful tool for commercial drug discovery.

The question of how life could have emerged is one of the most long-standing mysteries in science. In a new study, the ...

Researchers have discovered three compounds with anti-aging properties produced by a bacterium in the blood, which reduced ...

Small molecule inhibitors restore normal BRAF structure, offering insight into cancer-causing mutations 15 hours ago Scientists create framework for analyzing metabolic data to predict disease risk ...

This change in crystal structure rendered ... can now be used to predict molecular crystal structures not found in the database. Common pharmaceuticals such as aspirin and paracetamol, whose ...

Benzene's structure can be clearly understood through its molecular arrangement. A benzene molecule is composed of six carbon atoms arranged in a hexagonal ring, with each carbon atom bonded to ...

Founder and CEO of Atomic AI, Raphael Townshend, explores AI’s usefulness as a tool to characterize molecular structure and advance molecule engineering. Raphael Townshend, founder and CEO of Atomic ...

aspirin’s chemical formula. Migraine is a neurological disorder that affects an estimated 1 billion people worldwide, including nearly 40 million people in the United States, according to the ...

Protein-protein interactions (PPIs) play a crucial role in numerous biochemical and biological processes. Although several structure-based molecular generative models have been developed, PPI ...

Drugs such as aspirin and dipyridamole are commonly ... However, the 3D structure of ABCC4 and the molecular mechanism of its broad-spectrum substrate transportation remain unknown.

“Metabolites have a long and successful history as the basis for impactful drugs including aspirin ... including active molecule identification, property and structure prioritization ...