Quantum chemical methods underpin the accurate description of molecular structure and dynamics by solving the electronic Schrödinger equation within controlled approximations. Ab initio approaches ...
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 ...
Researchers from Heinrich Heine University Düsseldorf (HHU) have taken an important step toward developing intelligent ...
OverviewProteins are not static molecular objects but dynamic conformational ensembles whose structures, motions, disorder, ...
Morning Overview on MSN
IBM, Riken, and the Cleveland Clinic simulated a 12,000-atom protein by linking quantum computers with Japanese supercomputers
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 ...
Ultrasound can open and rebuild molecular nanocages, enabling controlled release of cancer drugs and advancing targeted drug ...
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