Cleveland Clinic, with IBM and Japan's RIKEN, has achieved the largest-ever quantum simulation of protein structure.

Researchers from Cleveland Clinic, RIKEN, and IBM have achieved the largest quantum-classical chemistry simulation to date, modeling protein-ligand systems with over 12,000 atoms using 94 qubits. The ...

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 ...

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 ...

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 ...