Han Liu

Accurate Description of Cation−π Interactions in Proteins with a Nonpolarizable Force Field at No Additional Cost

Han Liu, Haohao Fu, Xueguang Shao et al. · Journal of Chemical Theory and Computation · 2020 · 41 citations

MLCV: Bridging Machine-Learning-Based Dimensionality Reduction and Free-Energy Calculation

Haochuan Chen, Han Liu, Heying Feng et al. · Journal of Chemical Information and Modeling · 2021 · 35 citations

Engineering, Machine Learning, Computational Chemistry +20

Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein–Ligand Binding Affinities Dominated by Cation−π Interactions

Han Liu, Haohao Fu, Christophe Chipot et al. · Journal of Chemical Theory and Computation · 2021 · 26 citations

Revealing the Mechanism of Irreversible Binding of Antifreeze Glycoproteins to Ice

Weijia Zhang, Han Liu, Haohao Fu et al. · The Journal of Physical Chemistry B · 2022 · 24 citations

Protein Assembly, Irreversible Binding, Glycobiology +16

Deep-Learning-Assisted Enhanced Sampling for Exploring Molecular Conformational Changes

Haohao Fu, Han Liu, J. W. Xing et al. · The Journal of Physical Chemistry B · 2023 · 12 citations

Engineering, Molecular Biology, Conformational Changes +17