By integrating these forces over time, MD simulations can recreate the trajectories of atoms and molecules ... and biological systems at an unprecedented level of detail. Applications in ...

Glass might seem to be an ordinary material we encounter every day, but the physics at play inside are actually quite complex ...

In an era of medical care that is increasingly aiming at more targeted medication therapies, more individual therapies and ...

Such techniques are dependent on a description of how the molecules will interact ... agents such as silver iodide. Using molecular dynamics simulations, the authors show that dipolar interaction ...

The grant, from the society’s petroleum research fund, will support experiments using complex computer simulations that quickly analyze the behaviors of many molecules all at ... usually involving ...

It seeks to explain biological function in terms of molecular structure, dynamics and organization, from single molecules to supramolecular ... and molecular dynamics simulations was implemented ...