Fit-ligand is a computational algorithm that enables accurate modeling of multiple conformational states of ligands in X-ray crystallography and cryo-electron microscopy (cryo-EM).

Shandong University developed an advanced AI framework that predicts molecular properties in seconds with high accuracy and minimal computational ...

As the race toward 2nm nodes and advanced 3D architectures intensifies, the use of AI for discovery of new materials will be key to achieving a competitive advantage. From mobile processors to memory ...

The natural marvels, which do everything from enabling acrobatic flight to insulating against Antarctic cold, continue to ...

Here we use cryogenic electron microscopy to determine the structure of TbAQP2 from Trypanosoma brucei, bound to either the substrate glycerol or to the sleeping sickness drugs, pentamidine or ...

CORD: A Comprehensive Portal into Chordate Olfactory Receptors. GA, UNITED STATES, June 30, 2025 /EINPresswire.com/ -- How animals sense and respond to smells plays a pivotal role in their survival, ...

AI is revolutionizing medicine with tumor mapping, Parkinson’s detection from earwax, and low-cost fatty liver disease diagnosis.

Discover how the new technique of HSMP can help scientists gain insights into the world of biological processes and their ...

More information: Otsile O. Mojanaga et al, Molecular basis of acyl-CoA ester recognition by α-methylacyl-CoA racemase from Mycobacterium tuberculosis, Journal of Biological Chemistry (2025).

If an object that's composed of two types of material is going to fail, the break will usually occur at the interface where ...

The identification of promising lead compounds from high-throughput screens is still a very complex problem. A new high-throughput assay for identifying aggregation-based false positives could help.

The AI model guided the researchers to a quinary compound made of copper, chromium, iron, and aluminum, named dubbed Cu₃ ...