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Zhe Huai
Publication Activity (10 Years)
Years Active: 2021-2021
Publications (10 Years): 4
Top Topics
Interaction Patterns
Coarse Grained
Competitive Learning
Free Energy
Top Venues
J. Chem. Inf. Model.
J. Comput. Aided Mol. Des.
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Publications
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Zhe Huai
,
Zhaoxi Shen
,
Zhaoxi Sun
Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields.
J. Chem. Inf. Model.
61 (1) (2021)
Zhe Huai
,
Huaiyu Yang
,
Zhaoxi Sun
Binding thermodynamics and interaction patterns of human purine nucleoside phosphorylase-inhibitor complexes from extensive free energy calculations.
J. Comput. Aided Mol. Des.
35 (5) (2021)
Zhaoxi Sun
,
Zhe Huai
,
Qiao-Le He
,
Zhirong Liu
A General Picture of Cucurbit[8]uril Host-Guest Binding.
J. Chem. Inf. Model.
61 (12) (2021)
Zhe Huai
,
Huaiyu Yang
,
Xiao Li
,
Zhaoxi Sun
SAMPL7 TrimerTrip host-guest binding affinities from extensive alchemical and end-point free energy calculations.
J. Comput. Aided Mol. Des.
35 (1) (2021)