Yingkai Zhang
Orcid: 0000-0002-4984-3354
According to our database1,
Yingkai Zhang
authored at least 22 papers
between 2009 and 2025.
Collaborative distances:
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Bibliography
2025
Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening.
J. Chem. Inf. Model., 2025
2024
2023
Deciphering the Allosteric Activation Mechanism of SIRT6 Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., September, 2023
2022
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning.
J. Chem. Inf. Model., 2022
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions.
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
Reinforcement Learning Based Plug-and-Play Method for Hyperspectral Image Reconstruction.
Proceedings of the Artificial Intelligence - Second CAAI International Conference, 2022
2021
J. Chem. Inf. Model., 2021
J. Chem. Inf. Model., 2021
2020
J. Chem. Inf. Model., 2020
2019
Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions.
J. Chem. Inf. Model., 2019
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S.
J. Comput. Aided Mol. Des., 2019
2018
Computational Strategy for Bound State Structure Prediction in Structure-Based Virtual Screening: A Case Study of Protein Tyrosine Phosphatase Receptor Type O Inhibitors.
J. Chem. Inf. Model., 2018
2017
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.
J. Comput. Chem., 2017
2015
Performance analysis of device-to-device communications underlaying cellular networks.
Telecommun. Syst., 2015
AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein-Protein Interaction Interfaces.
J. Chem. Inf. Model., 2015
Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An <i>Ab initio</i> QM/MM molecular dynamics study.
J. Comput. Chem., 2015
KSII Trans. Internet Inf. Syst., 2015
2013
Performance Analysis of Device-to-Device Communications with Dynamic Interference Using Stochastic Petri Nets.
IEEE Trans. Wirel. Commun., 2013
Performance analysis of user association policies in small cell networks using Stochastic Petri Nets.
Proceedings of the IEEE International Conference on Communications, 2013
2009
Increasing the time step with mass scaling in Born-Oppenheimer <i>ab initio</i> QM/MM molecular dynamics simulations.
J. Comput. Chem., 2009