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AI2BMD: A ...
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AI2BMD: A Quantum-Accurate Machine Learning Approach for Large-Scale Biomolecular Dynamics

  • Researchers from Microsoft Research in Beijing introduced AI2BMD, an AI-based system for simulating large biomolecules with ab initio accuracy.
  • AI2BMD utilizes a protein fragmentation technique and a machine learning force field, allowing it to accurately compute energy and forces for proteins with over 10,000 atoms.
  • The system is vastly more efficient than traditional density functional theory (DFT), reducing simulation times by orders of magnitude.
  • AI2BMD's thermodynamic predictions align closely with experimental data, making it a valuable tool for complementing wet lab experiments and advancing biomedical research.

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