More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with ...

What if the vast amounts of data generated by molecular dynamics simulations could be routinely shared and reused? A new €10 ...

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 ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them in cell membrane vesicles. For a vesicle to detach, the neck of the ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

Advances in structural biology have allowed scientists to determine molecular structures with atomic-level detail, sometimes ...

European Research Council will fund project on the simulation of biomolecular dynamics with just over three million euros Physicist Cecilia Clementi at Freie Universität Berlin is set to receive an ...

By tracking aromatic ring movements inside proteins, researchers uncovered details of the molecular flexibility that enables ...

Physicist Cecilia Clementi at Freie Universität Berlin is set to receive an Advanced Grant worth roughly 3.037 million euros ...

Generation Molecular Modelling, Simulation, Free Energy Methods & Synthesis: An End-to-End Workflow from Structure- and ...