Imaging technique captures ultrafast electron and atom dynamics in chemical reactions

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

Molecular Dynamics Simulations of Liquid Interfaces

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 ...
Nature

Molecular Dynamics Simulations and Protein Kinase Inhibition

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 ...
Baylor College of Medicine

How molecular dynamics in CAR T cells explain their cancer-killing behavior

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, ...
Phys.org

New AI tool models protein dynamics, aiding drug discovery and protein research

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 ...
insideHPC

Sandia: Molecular Dynamics Simulation Record Breakers Nominated for Gordon Bell Prize

Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...