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 ...

Machine learning is rapidly transforming molecular dynamics simulations by enabling the construction of highly accurate interatomic potentials derived from high‐level quantum calculations. This ...

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 ...

During chemical reactions, atoms in the reacting substances break their bonds and re-arrange, forming different chemical ...