Molecular dynamics simulations offer a detailed atomic-scale perspective of liquid interfaces, enabling researchers to probe structural and dynamical properties that govern the boundary between ...

A recent study carried out my a group from MIT has introduced MDGen, a generative modeling approach for molecular dynamics ...

Molecular dynamics simulations have emerged as an indispensable tool in modern biomedical research, particularly in the study of protein kinases. This computational approach permits detailed ...

Scientists have found a way to see ultrafast molecular interactions inside liquids using an extreme laser technique once ...

A study published in Science Advances shares new insights into how two of the most common types of chimeric antigen receptor (CAR) T cells kill cancer. Investigators from Baylor College of Medicine, ...

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science. The study introduces BioEmu, a generative deep learning system that ...

This proposal review committee will evaluate submissions received in response to a Request for Proposals for biomolecular simulation time on Anton 3, a supercomputer specially designed and built by ...

Conducting polymers have emerged as a pivotal class of materials for advanced optoelectronic applications owing to their tunable molecular structure, ...

Liquids and solutions may seem simple, but at the molecular level they are constantly in motion. When sugar dissolves in water, for example, each ...