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Kobchikova P P1, Bakirov B A1, Ryltsev R E2,3

  • 1Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, 141980 Dubna, Russia.

Biophysical reviews
|January 30, 2026
PubMed
概括

机器学习原子间潜力 (MLIP) 为大型生物分子模拟提供了接近量子力学的精度. 这些先进的模型正在成为结构生物学和药物发现的重要工具.

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