New computer simulations that model every atom of a protein as it folds into its final three-dimensional form support the existence of a recently identified type of protein misfolding. Proteins must ...

GIGABYTE, the world's leading computer brand, demonstrates how AI TOP ATOM four-node clustering scales local AI computing for increasingly complex workloads. As AI models, scientific simulations, and ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

GIGABYTE, the world's leading computer brand, demonstrates how AI TOP ATOM four-node clustering scales local AI computing for ...

Harvard researchers bring the accuracy, sample efficiency, and robustness of deep equivariant neural networks to the simulate 44 million atoms. This is achieved through a combination of innovative ...

In late May 2026, a research team from IBM, Japan’s RIKEN institute, and the Cleveland Clinic reported that they had simulated protein-ligand complexes containing up to 12,635 atoms by linking quantum ...

Drug designers working on protein-level chemistry have long been blocked by a hard computational wall: classical supercomputers cannot fully model the electronic structure of large biomolecules.

Recently identified and long-lasting type of protein misfolding — non-native entanglements — observed in all-atom protein folding simulations. Representative misfolded conformations of the small ...

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 ...