Yingkai Zhang

According to our database, Yingkai Zhang authored at least 20 papers between 2009 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Deciphering the Allosteric Activation Mechanism of SIRT6 Using Molecular Dynamics Simulations.

Zhiyuan Zhao, Jintong Du, Yu Du, Yuan Gao, Mingxuan Yu, Yingkai Zhang, Hao Fang, Xuben Hou

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.

Dongdong Zhang, Song Xia, Yingkai Zhang

J. Chem. Inf. Model., 2022

Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions.

Chao Yang, Yingkai Zhang

J. Chem. Inf. Model., 2022

Unified Deep Learning Model for Multitask Reaction Predictions with Explanation.

Jieyu Lu, Yingkai Zhang

J. Chem. Inf. Model., 2022

CovBinderInPDB: A Structure-Based Covalent Binder Database.

Xiao-Kang Guo, Yingkai Zhang

J. Chem. Inf. Model., 2022

Reinforcement Learning Based Plug-and-Play Method for Hyperspectral Image Reconstruction.

Ying Fu, Yingkai Zhang

Proceedings of the Artificial Intelligence - Second CAAI International Conference, 2022

2021

Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand Docking.

Chao Yang, Yingkai Zhang

J. Chem. Inf. Model., 2021

Dataset Construction to Explore Chemical Space with 3D Geometry and Deep Learning.

Jianing Lu, Song Xia, Jieyu Lu, Yingkai Zhang

J. Chem. Inf. Model., 2021

2020

AlphaSpace 2.0: Representing Concave Biomolecular Surfaces Using β-Clusters.

Joseph Katigbak, Haotian Li, David Rooklin, Yingkai Zhang

J. Chem. Inf. Model., 2020

2019

Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions.

Jianing Lu, Xuben Hou, Cheng Wang, Yingkai Zhang

J. Chem. Inf. Model., 2019

Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S.

Yuwei Yang, Jianing Lu, Chao Yang, Yingkai Zhang

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.

Xuben Hou, David Rooklin, Duxiao Yang, Xiao Liang, Kangshuai Li, Jianing Lu, Cheng Wang, Peng Xiao, Yingkai Zhang, Jin-peng Sun, Hao Fang

J. Chem. Inf. Model., 2018

2017

Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest.

Cheng Wang, Yingkai Zhang

J. Comput. Chem., 2017

2015

Performance analysis of device-to-device communications underlaying cellular networks.

Wenjun Wu, Wei Xiang, Yingkai Zhang, Kan Zheng, Wenbo Wang

Telecommun. Syst., 2015

AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein-Protein Interaction Interfaces.

David Rooklin, Cheng Wang, Joseph Katigbak, Paramjit S. Arora, Yingkai Zhang

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.

Wenjing Gong, Ruibo Wu, Yingkai Zhang

J. Comput. Chem., 2015

Performance Analysis and Evaluation of Deployment in Small Cell Networks.

Kan Zheng, Yue Li, Yingkai Zhang, Zheng Jiang, Hang Long

KSII Trans. Internet Inf. Syst., 2015

2013

Performance Analysis of Device-to-Device Communications with Dynamic Interference Using Stochastic Petri Nets.

Lei Lei, Yingkai Zhang, Xuemin (Sherman) Shen, Chuang Lin, Zhangdui Zhong

IEEE Trans. Wirel. Commun., 2013

Performance analysis of user association policies in small cell networks using Stochastic Petri Nets.

Yingkai Zhang, Lei Lei, Hang Long, Kan Zheng

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.

Han Zheng, Shenglong Wang, Yingkai Zhang

J. Comput. Chem., 2009