Showing 1 - 6 results of 6 for search 'Zhe Huai', query time: 0.03s Refine Results
  1. 1
    Host Dynamics under General-Purpose Force Fields

    Host Dynamics under General-Purpose Force Fields by Xiaohui Wang, Zhe Huai, Zhaoxi Sun

    Published 2023-08-01
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  2. 2
    A Benchmark Test of High-Throughput Atomistic Modeling for Octa-Acid Host–Guest Complexes

    A Benchmark Test of High-Throughput Atomistic Modeling for Octa-Acid Host–Guest Complexes by Xiaohui Wang, Zhe Huai, Lei Zheng, Meili Liu, Zhaoxi Sun

    Published 2024-07-01
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  3. 3
    A General Picture of Cucurbit[8]uril Host–Guest Binding: Recalibrating Bonded Interactions

    A General Picture of Cucurbit[8]uril Host–Guest Binding: Recalibrating Bonded Interactions by Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu

    Published 2023-03-01
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  4. 4
    Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions

    Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions by Zhaoxi Sun, Zhihao Gong, Lei Zheng, Payam Kalhor, Zhe Huai, Zhirong Liu

    Published 2022-12-01
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  5. 5
    WUREN: Whole-modal union representation for epitope prediction

    WUREN: Whole-modal union representation for epitope prediction by Xiaodong Wang, Xiangrui Gao, Xuezhe Fan, Zhe Huai, Genwei Zhang, Mengcheng Yao, Tianyuan Wang, Xiaolu Huang, Lipeng Lai

    Published 2024-12-01
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  6. 6
    Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient

    Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient by Zhaoxi Sun, Lei Zheng, Zuo-Yuan Zhang, Yalong Cong, Mao Wang, Xiaohui Wang, Jingjing Yang, Zhirong Liu, Zhe Huai

    Published 2023-01-01
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