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A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention

Abstract Accurate atomistic biomolecular simulations are vital for understanding disease mechanisms and drug discovery, yet existing methods struggle to balance quantum-mechanical accuracy with computational scalability. Classical force fields often lack precision, while quantum methods are computat...

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Библиографические подробности
Главные авторы: Qun Su, Kai Zhu, Qiaolin Gou, Jintu Zhang, Renling Hu, Yurong Li, Yongze Wang, Hui Zhang, Ziyi You, Linlong Jiang, Yu Kang, Jike Wang, Chang-Yu Hsieh, Tingjun Hou
Формат: Artigo
Язык:Inglês
Опубликовано: Nature Portfolio 2026-03-01
Серии:Nature Communications
Online-ссылка:https://doi.org/10.1038/s41467-026-70377-4
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