Drug development is a critical but notoriously resource- and time-consuming process. Traditional methods, such as high-throughput screening, rely on opportunistic ...

Interactions between atoms and molecules are facilitated by electromagnetic fields. The bigger the distance between the partners involved, the weaker these mutual interactions are. In order for the ...

Building the complex 3D molecules needed for new medicines has always been a bit like assembling a puzzle with pieces that keep trying to flip over. Now, chemists at Scripps Research have found a way ...

Molecular dynamics simulations play an important role in investigating biological systems. However, simulating large-scale systems can be computationally expensive, which can be improved by the ...

The radical rebound. Computational visualization showing the carbon-centered radical (orange spin density) binding to the nickel-centered radical (blue spin density). Two perspectives are shown. LA ...