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Journal of the American Chemical Society|February 3, 2005
How does the cAMP-dependent protein kinase catalyze the phosphorylation reaction: an ab initio QM/MM studyYuhui Cheng, Yingkai Zhang, J Andrew McCammon
The Journal of Physical Chemistry. B|November 21, 2009
Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesteraseJunjun Liu, Yingkai Zhang, Chang-Guo Zhan
Journal of the American Chemical Society|August 29, 2002
Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM studyYingkai Zhang, Jeremy Kua, J Andrew McCammon
Journal of the American Chemical Society|August 30, 2012
Revelation of a catalytic calcium-binding site elucidates unusual metal dependence of a human apyraseDavid W Rooklin, Min Lu, Yingkai Zhang
Journal of Chemical Information and Modeling|September 16, 2025
Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction PredictionYaowen Gu, Song Xia, Qi Ouyang, et al.
Scientific Reports|December 1, 2016
Resveratrol serves as a protein-substrate interaction stabilizer in human SIRT1 activationXuben Hou, David Rooklin, Hao Fang, et al.
Journal of Computer-Aided Molecular Design|November 16, 2019
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin SYuwei Yang, Jianing Lu, Chao Yang, et al.
Sheng Wu Yi Xue Gong Cheng Xue Za Zhi = Journal of Biomedical Engineering = Shengwu Yixue Gongchengxue Zazhi|July 22, 2006
[Response to dynamic strain in human periosteal cells grown in vitro]Chao Zhang, Guosui Liang, Yingkai Zhang, et al.
Journal of the American Chemical Society|April 5, 2011
Zinc chelation with hydroxamate in histone deacetylases modulated by water access to the linker binding channelRuibo Wu, Zhenyu Lu, Zexing Cao, et al.
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