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Yingkai Zhang

Showing results (11-20 of 150) with videos related to

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The Journal of Chemical Physics|June 3, 2008
Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulationsHan Zheng, Yingkai Zhang
Chemical Communications (Cambridge, England)|December 1, 2010
Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediateYanzi Zhou, Yingkai Zhang
Journal of Chemical Information and Modeling|December 1, 2022
CovBinderInPDB: A Structure-Based Covalent Binder DatabaseXiao-Kang Guo, Yingkai Zhang
Journal of Chemical Information and Modeling|April 1, 2025
Can Deep Learning Blind Docking Methods be Used to Predict Allosteric Compounds?Eric A Chen, Yingkai Zhang
The Journal of Physical Chemistry. A|May 3, 2014
How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics studyGulseher Sarah Sirin, Yingkai Zhang
Journal of Computational Chemistry|April 29, 2009
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulationsHan Zheng, Shenglong Wang, Yingkai Zhang
Journal of Molecular Biology|April 25, 2009
Polymerase-tailored variations in the water-mediated and substrate-assisted mechanism for nucleotidyl transfer: insights from a study of T7 DNA polymeraseLihua Wang, Suse Broyde, Yingkai Zhang
The Journal of Physical Chemistry Letters|March 10, 2016
Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot PeptidesYanzi Zhou, Daiqian Xie, Yingkai Zhang
Journal of Chemical Information and Modeling|April 15, 2022
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer LearningDongdong Zhang, Song Xia, Yingkai Zhang
Journal of Chemical Theory and Computation|October 26, 2023
Integrated Molecular Modeling and Machine Learning for Drug DesignSong Xia, Eric Chen, Yingkai Zhang
Pageof 15

Showing results (11-20 of 150) with videos related to

Sort By:
Pageof 15
The Journal of Chemical Physics|June 3, 2008
Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulationsHan Zheng, Yingkai Zhang
Chemical Communications (Cambridge, England)|December 1, 2010
Serine protease acylation proceeds with a subtle re-orientation of the histidine ring at the tetrahedral intermediateYanzi Zhou, Yingkai Zhang
Journal of Chemical Information and Modeling|December 1, 2022
CovBinderInPDB: A Structure-Based Covalent Binder DatabaseXiao-Kang Guo, Yingkai Zhang
Journal of Chemical Information and Modeling|April 1, 2025
Can Deep Learning Blind Docking Methods be Used to Predict Allosteric Compounds?Eric A Chen, Yingkai Zhang
The Journal of Physical Chemistry. A|May 3, 2014
How is acetylcholinesterase phosphonylated by soman? An ab initio QM/MM molecular dynamics studyGulseher Sarah Sirin, Yingkai Zhang
Journal of Computational Chemistry|April 29, 2009
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulationsHan Zheng, Shenglong Wang, Yingkai Zhang
Journal of Molecular Biology|April 25, 2009
Polymerase-tailored variations in the water-mediated and substrate-assisted mechanism for nucleotidyl transfer: insights from a study of T7 DNA polymeraseLihua Wang, Suse Broyde, Yingkai Zhang
The Journal of Physical Chemistry Letters|March 10, 2016
Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot PeptidesYanzi Zhou, Daiqian Xie, Yingkai Zhang
Journal of Chemical Information and Modeling|April 15, 2022
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer LearningDongdong Zhang, Song Xia, Yingkai Zhang
Journal of Chemical Theory and Computation|October 26, 2023
Integrated Molecular Modeling and Machine Learning for Drug DesignSong Xia, Eric Chen, Yingkai Zhang
Pageof 15