This is what fun looks like for a particular set of theoretical chemists driven to solve extremely difficult problems: ...

In developing a versatile new electrolyte, a team of University of Wisconsin–Madison engineers has taken the next step toward ...

Ubiquitin controls the lifespan and distribution of proteins in the cell, but it can also determine their shape, function, or ...

AI analysis uncovers why certain protein interactions behave like a finger trap, gripping tighter the harder they’re pulled.

By combining AI with molecular dynamics simulations, researchers at the Department of Energy’s Oak Ridge National Laboratory have developed a new tool to more accurately predict how plants and helpful ...

ORNL developed an AI tool blending simulations with AI to predict plant-microbe interactions, optimizing plant growth.

A new study has revealed the 3D structure of a barley root protein that protects plants from toxic aluminum in acidic soils.

Protein folding is essential for maintaining physiological functions, and improper folding can lead to the formation of toxic aggregates such as amyloids, ...

A new computational study reveals that polyethylene furanoate (PEF) — a bio-based polyester — has markedly stronger ...

Water molecules are emerging as pivotal players in drug design and the molecular dynamics of protein–ligand complexes. Their unique properties not only mediate solvation effects and contribute to the ...

By combining AI with molecular dynamics simulations, researchers have developed a new tool to more accurately predict how ...