By integrating these forces over time, MD simulations can recreate the trajectories of atoms and molecules, revealing dynamic ... to decode the complexities of materials and biological systems at an ...

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 ...

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 ...

When a spider is spinning its web, its silk starts out as liquid and quickly turns into a solid that is, pound for pound, ...

Krueger of Harvard University, but to which each co-author contributed equally, uses differentiable molecular dynamics to design ... of patchy particle simulations within a differentiable library.

In an era of medical care that is increasingly aiming at more targeted medication therapies, more individual therapies and more effective therapies, doctors and scientists want to be able to introduce ...