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

By combining AI with molecular dynamics simulations, researchers at the Department of Energy's Oak Ridge National Laboratory ...

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

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

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

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

Prof. Laura Gagliardi at the University of Chicago Pritzker School of Molecular Engineering (UChicago PME) and Chemistry Department has developed a powerful new tool that harnesses electronic ...

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 at the Department of Energy’s Oak Ridge National Laboratory have developed a new tool to more accurately predict how plants and helpful ...

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