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Yingkai Zhang

Showing results (1-10 of 150) with videos related to

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The Journal of Chemical Physics|January 11, 2005
Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methodsYingkai Zhang
The Journal of Physical Chemistry. B|May 17, 2007
Catalytic mechanism and metal specificity of bacterial peptide deformylase: a density functional theory QM/MM studyChuanyun Xiao, Yingkai Zhang
The Journal of Chemical Physics|October 2, 2007
Design-atom approach for the quantum mechanical/molecular mechanical covalent boundary: a design-carbon atom with five valence electronsChuanyun Xiao, Yingkai Zhang
Journal of Chemical Information and Modeling|May 17, 2022
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring FunctionsChao Yang, Yingkai Zhang
Journal of Computational Chemistry|November 19, 2016
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forestCheng Wang, Yingkai Zhang
The Journal of Chemical Physics|December 9, 2009
Introducing sampling entropy in repository based adaptive umbrella samplingHan Zheng, Yingkai Zhang
Journal of Chemical Information and Modeling|March 10, 2022
Unified Deep Learning Model for Multitask Reaction Predictions with ExplanationJieyu Lu, Yingkai Zhang
Journal of Chemical Information and Modeling|September 1, 2021
Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand DockingChao Yang, Yingkai Zhang
Journal of Chemical Theory and Computation|February 18, 2009
Interfacing ab initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical ReactionsZhenyu Lu, Yingkai Zhang
Journal of the American Chemical Society|January 26, 2006
Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: an ab initio QM/MM-FE study with multiple initial structuresPo Hu, Yingkai Zhang
Pageof 15

Showing results (1-10 of 150) with videos related to

Sort By:
Pageof 15
The Journal of Chemical Physics|January 11, 2005
Improved pseudobonds for combined ab initio quantum mechanical/molecular mechanical methodsYingkai Zhang
The Journal of Physical Chemistry. B|May 17, 2007
Catalytic mechanism and metal specificity of bacterial peptide deformylase: a density functional theory QM/MM studyChuanyun Xiao, Yingkai Zhang
The Journal of Chemical Physics|October 2, 2007
Design-atom approach for the quantum mechanical/molecular mechanical covalent boundary: a design-carbon atom with five valence electronsChuanyun Xiao, Yingkai Zhang
Journal of Chemical Information and Modeling|May 17, 2022
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring FunctionsChao Yang, Yingkai Zhang
Journal of Computational Chemistry|November 19, 2016
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forestCheng Wang, Yingkai Zhang
The Journal of Chemical Physics|December 9, 2009
Introducing sampling entropy in repository based adaptive umbrella samplingHan Zheng, Yingkai Zhang
Journal of Chemical Information and Modeling|March 10, 2022
Unified Deep Learning Model for Multitask Reaction Predictions with ExplanationJieyu Lu, Yingkai Zhang
Journal of Chemical Information and Modeling|September 1, 2021
Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand DockingChao Yang, Yingkai Zhang
Journal of Chemical Theory and Computation|February 18, 2009
Interfacing ab initio Quantum Mechanical Method with Classical Drude Osillator Polarizable Model for Molecular Dynamics Simulation of Chemical ReactionsZhenyu Lu, Yingkai Zhang
Journal of the American Chemical Society|January 26, 2006
Catalytic mechanism and product specificity of the histone lysine methyltransferase SET7/9: an ab initio QM/MM-FE study with multiple initial structuresPo Hu, Yingkai Zhang
Pageof 15