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• Breathing New Life into Classical Force Fields

  Xiwen Sun, Xueguang Shao, Wensheng Cai, Haohao Fu

  2025-11-03

  3316 531 Pages:331-342

  

• Machine Learning Force Fields for Predicting Thermodynamic Properties of PA6T/6I Copolymers

  Yingwei Xie, Lele Wei, Jin Wen

  2025-09-03

  2792 463 Pages:264-273

• Benchmarking Universal Machine Learning Force Fields with Hydrogen-Bonding Cooperativity

  Xinping Feng, You Xu, Jing Huang

  2025-06-13

  5031 585 Pages:152-160 Open-access

• Combining All-Atom Molecular Dynamics Simulation and NMR to Analyze Conformational Ensemble of Intrinsically Disordered Proteins

  Xingyu Song, Wenning Wang

  2025-11-21

  2227 454 Pages:350-360