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Yingkai Zhang

Showing results (21-30 of 150) with videos related to

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Chemical Science|May 28, 2026
End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformersChao Han, Xiaolin Pan, Yingkai Zhang
Journal of Chemical Information and Modeling|January 17, 2025
Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual ScreeningSong Xia, Yaowen Gu, Yingkai Zhang
The Journal of Physical Chemistry. B|June 17, 2010
Catalytic reaction mechanism of acetylcholinesterase determined by Born-Oppenheimer ab initio QM/MM molecular dynamics simulationsYanzi Zhou, Shenglong Wang, Yingkai Zhang
Journal of Chemical Information and Modeling|March 4, 2026
Fine-Tuning DiffDock-L for Allosteric Kinase DockingEric Chen, Justin Green, Yingkai Zhang
Journal of the American Chemical Society|March 4, 2008
How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulationsPo Hu, Shenglong Wang, Yingkai Zhang
Communications Chemistry|November 12, 2025
Topological deep learning for enhancing peptide-protein complex predictionXuhang Dai, Rui Wang, Yingkai Zhang
Journal of Chemical Theory and Computation|May 31, 2019
Predicting Molecular Energy Using Force-Field Optimized Geometries and Atomic Vector Representations Learned from an Improved Deep Tensor Neural NetworkJianing Lu, Cheng Wang, Yingkai Zhang
Journal of Chemical Theory and Computation|January 6, 2023
Multitask Deep Ensemble Prediction of Molecular Energetics in Solution: From Quantum Mechanics to Experimental PropertiesSong Xia, Dongdong Zhang, Yingkai Zhang
Journal of the American Chemical Society|October 1, 2009
Importance of charge independent effects in readout of the trimethyllysine mark by HP1 chromodomainZhenyu Lu, Jonathan Lai, Yingkai Zhang
The Journal of Physical Chemistry. B|March 29, 2007
Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9Shenglong Wang, Po Hu, Yingkai Zhang
Pageof 15

Showing results (21-30 of 150) with videos related to

Sort By:
Pageof 15
Chemical Science|May 28, 2026
End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformersChao Han, Xiaolin Pan, Yingkai Zhang
Journal of Chemical Information and Modeling|January 17, 2025
Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual ScreeningSong Xia, Yaowen Gu, Yingkai Zhang
The Journal of Physical Chemistry. B|June 17, 2010
Catalytic reaction mechanism of acetylcholinesterase determined by Born-Oppenheimer ab initio QM/MM molecular dynamics simulationsYanzi Zhou, Shenglong Wang, Yingkai Zhang
Journal of Chemical Information and Modeling|March 4, 2026
Fine-Tuning DiffDock-L for Allosteric Kinase DockingEric Chen, Justin Green, Yingkai Zhang
Journal of the American Chemical Society|March 4, 2008
How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? Revisited by Ab initio QM/MM molecular dynamics simulationsPo Hu, Shenglong Wang, Yingkai Zhang
Communications Chemistry|November 12, 2025
Topological deep learning for enhancing peptide-protein complex predictionXuhang Dai, Rui Wang, Yingkai Zhang
Journal of Chemical Theory and Computation|May 31, 2019
Predicting Molecular Energy Using Force-Field Optimized Geometries and Atomic Vector Representations Learned from an Improved Deep Tensor Neural NetworkJianing Lu, Cheng Wang, Yingkai Zhang
Journal of Chemical Theory and Computation|January 6, 2023
Multitask Deep Ensemble Prediction of Molecular Energetics in Solution: From Quantum Mechanics to Experimental PropertiesSong Xia, Dongdong Zhang, Yingkai Zhang
Journal of the American Chemical Society|October 1, 2009
Importance of charge independent effects in readout of the trimethyllysine mark by HP1 chromodomainZhenyu Lu, Jonathan Lai, Yingkai Zhang
The Journal of Physical Chemistry. B|March 29, 2007
Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: the case of histone lysine methyltransferase SET7/9Shenglong Wang, Po Hu, Yingkai Zhang
Pageof 15