A computational method accurately predicts the optimal ligand for a photochemical palladium catalyst, enabling new radical ...

A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.

Virtual screening methods fall broadly into two categories: ligand- and structure-based. Ligand-based virtual screening doesn’t require a target protein structure, Instead, it leverages known active ...

Recent technological advances have opened new possibilities for neuroscience research, allowing researchers to map the ...

Recent advances in computational biomechanics and digital modeling have unlocked new opportunities for analyzing and understanding human movement in sports ...

Computational methods are now a cornerstone in the study of fluid flow, heat transfer and mass transfer phenomena, underpinning modern simulations that inform both fundamental research and engineering ...

High-speed atomic force microscopy (HS-AFM) is the only experimental technique to directly watch proteins in dynamic action.

When you hear the term computer simulation, the first thing that pops into your mind is the bright, colorful graphics that often appear in a movie or a video game world. But for Tayfun Tezduyar, a ...

The continuous advancement of underground engineering is crucial for large project construction and resource extraction. This progress, however, usually ...

A smartwatch that can flag early signs of disease. A virtual reality system that helps surgeons practice complex procedures before the first incision. AI-powered models that suggest personalized ...