Search Results

• Comparison Between All-Atom and Coarse-Grained Dynamics Simulations for Predicting Mechanical Properties of Proteins

  Zihan He, Liangxu Xie, Binbin Xie, Lin Shen

  2025-09-03

  2553 356 Pages:243-248

• Therapeutic Potential and Mechanistic Insights of Sunflower Receptacles’ Essential Oil Against Gout: An In-Depth Molecular Study

  Kaiyu Wang, Xue Bai, Hengzheng Yang, Kaifeng Liu, Lu Han, Wannan Li, Weiwei Han

  2025-09-05

  244 133 Pages:1-12 Open-access

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

  Xingyu Song, Wenning Wan

  2025-11-21

  535 198 Pages:350-360

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

  Yingwei Xie, Lele Wei, Jin Wen

  2025-09-03

  2504 369 Pages:264-273

• Sodium Electron Solvation and Reactivity at Water Surface

  Hui Dong, Yuxiang Bu

  2025-09-05

  262 136 Pages:13-23 Open-access