Zhe Huai

Stratified Zinc‐Binding Strategy toward Prolonged Cycling and Flexibility of Aqueous Fibrous Zinc Metal Batteries

Zhaoxi Shen, Lei Luo, Chaowei Li et al. · Advanced Energy Materials · 2021 · 114 citations

Natural Sciences, Materials Engineering, Materials Science +17

A General Picture of Cucurbit[8]uril Host–Guest Binding

Zhaoxi Sun, Zhe Huai, Qiaole He et al. · Journal of Chemical Information and Modeling · 2021 · 69 citations

Pharmacy, Chemistry, Medicinal Chemistry +16

Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields

Zhe Huai, Zhaoxi Shen, Zhaoxi Sun · Journal of Chemical Information and Modeling · 2020 · 53 citations

Life Sciences, Biochemistry, Biophysics +17

SAMPL7 TrimerTrip host–guest binding affinities from extensive alchemical and end-point free energy calculations

Zhe Huai, Huaiyu Yang, Xiao Li et al. · Journal of Computer-Aided Molecular Design · 2020 · 29 citations

Natural Sciences, Chemistry, Materials Science +13

Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions

Zhaoxi Sun, Zhihao Gong, Lei Zheng et al. · Journal of Ionic Liquids · 2022 · 26 citations · Full text

Natural Sciences, Chemistry, Physics +17