University of Idaho scientists are using computer molecular modeling to develop new fungicides with novel modes of action to ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Using advanced computer modeling, researchers at the U.S. Department of Energy's Argonne National Laboratory have developed a way to accurately predict the behavior of devices called molecular qubits.

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

In human cells, there are about 20,000 genes on a two-meter DNA strand—finely coiled up in a nucleus about 10 micrometers in diameter. By comparison, this corresponds to a 40-kilometer thread packed ...

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

Tropical disease drug discovery is an interdisciplinary field at the intersection of medicinal chemistry, computational biology, and global health. Despite ...

Raghab Singh’s research advances structure-first AI models for healthcare, combining molecular geometry and language ...

Recent advances in virtual reality (VR) and augmented reality (AR) have introduced transformative approaches to molecular visualisation and interactive modelling. These immersive technologies allow ...

The investigations of KIT researchers have shown that biomolecular condensates enable fast yet reliable activation of the right genes. “Biomolecular condensates are tiny drops that form in specific ...