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Plos Computational Biology|October 8, 2013
Ligand clouds around protein clouds: a scenario of ligand binding with intrinsically disordered proteinsFan Jin, Chen Yu, Luhua Lai, et al.Proteins|November 19, 2013
The minimal α-crystallin domain of Mj Hsp16.5 is functional at non-heat-shock conditionsDong Xi, Ping Wei, Changsheng Zhang, et al.The Journal of Chemical Physics|March 15, 2023
How protein topology controls allosteric regulationsJuan Xie, Gaoxiang Pan, Yibo Li, et al.Chemical Society Reviews|October 21, 2025
Modeling protein-ligand interactions for drug discovery in the era of deep learningYuzhe Wang, Yibo Li, Jiaxiao Chen, et al.Medical Review (2021)|January 29, 2024
In silico protein function prediction: the rise of machine learning-based approachesJiaxiao Chen, Zhonghui Gu, Luhua Lai, et al.Chemical Science|May 31, 2024
DiffBindFR: an SE(3) equivariant network for flexible protein-ligand dockingJintao Zhu, Zhonghui Gu, Jianfeng Pei, et al.The Journal of Physical Chemistry. B|September 9, 2011
Elucidating the energetics of entropically driven protein-ligand association: calculations of absolute binding free energy and entropyNan-jie Deng, Peng Zhang, Piotr Cieplak, et al.Journal of Chemical Information and Modeling|October 26, 2010
Binding energy landscape analysis helps to discriminate true hits from high-scoring decoys in virtual screeningDengguo Wei, Hao Zheng, Naifang Su, et al.Journal of Chemical Information and Modeling|December 29, 2021
Uncovering the Dominant Motion Modes of Allosteric Regulation Improves Allosteric Site PredictionJuan Xie, Shiwei Wang, Youjun Xu, et al.Journal of Chemical Information and Modeling|October 10, 2025
Benchmarking Cofolding Methods for Molecular Glue Ternary Structure PredictionYiyan Liao, Jintao Zhu, Juan Xie, et al.Pageof 272