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2020 – today
- 2024
[i1]Ying Fu, Yu Li, Shaodi You, Boxin Shi, Jose Alvarez, Coert Van Gemeren, Linwei Chen, Yunhao Zou, Zichun Wang, Yichen Li, Yuze Han, Yingkai Zhang, Jianan Wang, Qinglin Liu, Wei Yu, Xiaoqian Lv, Jianing Li, Shengping Zhang, Xiangyang Ji, Yuanpei Chen, Yuhan Zhang, Weihang Peng, Liwen Zhang, Zhe Xu, Dingyong Gou, Cong Li, Senyan Xu, Yunkang Zhang, Siyuan Jiang, Xiaoqiang Lu, Licheng Jiao, Fang Liu, Xu Liu, Lingling Li, Wenping Ma, Shuyuan Yang, Haiyang Xie, Jian Zhao, Shihuang Huang, Peng Cheng, Xi Shen, Zheng Wang, Shuai An, Caizhi Zhu, Xuelong Li, Tao Zhang, Liang Li, Yu Liu, Chenggang Yan, Gengchen Zhang, Linyan Jiang, Bingyi Song, Zhuoyu An, Haibo Lei, Qing Luo, Jie Song, Yuan Liu, Qihang Li, Haoyuan Zhang, Lingfeng Wang, Wei Chen, Aling Luo, Cheng Li, Jun Cao, Shu Chen, Zifei Dou, Xinyu Liu, Jing Zhang, Kexin Zhang, Yuting Yang, Xuejian Gou, Qinliang Wang, Yang Liu, Shizhan Zhao, Yanzhao Zhang, Libo Yan, Yuwei Guo, Guoxin Li, Qiong Gao, Chenyue Che, Long Sun, Xiang Chen, Hao Li, Jinshan Pan, Chuanlong Xie, Hongming Chen, Mingrui Li, Tianchen Deng, Jingwei Huang, Yufeng Li, Fei Wan, Bingxin Xu, Jian Cheng, Hongzhe Liu, Cheng Xu, Yuxiang Zou, Weiguo Pan, Songyin Dai, Sen Jia, Junpei Zhang:
Technique Report of CVPR 2024 PBDL Challenges. CoRR abs/2406.10744 (2024)- 2023
- [j18]Zhiyuan Zhao, Jintong Du, Yu Du, Yuan Gao, Mingxuan Yu, Yingkai Zhang
, Hao Fang, Xuben Hou:
Deciphering the Allosteric Activation Mechanism of SIRT6 Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 63(18): 5896-5902 (2023) - 2022
- [j17]Jieyu Lu, Yingkai Zhang:
Unified Deep Learning Model for Multitask Reaction Predictions with Explanation. J. Chem. Inf. Model. 62(6): 1376-1387 (2022) - [j16]Dongdong Zhang, Song Xia, Yingkai Zhang:
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning. J. Chem. Inf. Model. 62(8): 1840-1848 (2022) - [j15]Chao Yang, Yingkai Zhang:
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions. J. Chem. Inf. Model. 62(11): 2696-2712 (2022) - [j14]Xiao-Kang Guo, Yingkai Zhang:
CovBinderInPDB: A Structure-Based Covalent Binder Database. J. Chem. Inf. Model. 62(23): 6057-6068 (2022) - [c2]Ying Fu, Yingkai Zhang:
Reinforcement Learning Based Plug-and-Play Method for Hyperspectral Image Reconstruction. CICAI (1) 2022: 466-477 - 2021
- [j13]Jianing Lu, Song Xia, Jieyu Lu, Yingkai Zhang:
Dataset Construction to Explore Chemical Space with 3D Geometry and Deep Learning. J. Chem. Inf. Model. 61(3): 1095-1104 (2021) - [j12]Chao Yang, Yingkai Zhang:
Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand Docking. J. Chem. Inf. Model. 61(9): 4630-4644 (2021) - 2020
- [j11]Joseph Katigbak, Haotian Li, David Rooklin, Yingkai Zhang:
AlphaSpace 2.0: Representing Concave Biomolecular Surfaces Using β-Clusters. J. Chem. Inf. Model. 60(3): 1494-1508 (2020)
2010 – 2019
- 2019
- [j10]Yuwei Yang, Jianing Lu, Chao Yang, Yingkai Zhang:
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S. J. Comput. Aided Mol. Des. 33(12): 1095-1105 (2019) - [j9]Jianing Lu, Xuben Hou, Cheng Wang, Yingkai Zhang:
Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions. J. Chem. Inf. Model. 59(11): 4540-4549 (2019) - 2018
- [j8]Xuben Hou, David Rooklin, Duxiao Yang, Xiao Liang, Kangshuai Li, Jianing Lu, Cheng Wang, Peng Xiao, Yingkai Zhang, Jin-peng Sun, Hao Fang:
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. 58(11): 2331-2342 (2018) - 2017
- [j7]Cheng Wang, Yingkai Zhang:
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forest. J. Comput. Chem. 38(3): 169-177 (2017) - 2015
- [j6]Kan Zheng, Yue Li, Yingkai Zhang, Zheng Jiang, Hang Long:
Performance Analysis and Evaluation of Deployment in Small Cell Networks. KSII Trans. Internet Inf. Syst. 9(3): 886-900 (2015) - [j5]Wenjing Gong, Ruibo Wu, Yingkai Zhang:
Thiol versus hydroxamate as zinc binding group in HDAC inhibition: An Ab initio QM/MM molecular dynamics study. J. Comput. Chem. 36(30): 2228-2235 (2015) - [j4]David Rooklin, Cheng Wang, Joseph Katigbak, Paramjit S. Arora, Yingkai Zhang:
AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein-Protein Interaction Interfaces. J. Chem. Inf. Model. 55(8): 1585-1599 (2015) - [j3]Wenjun Wu, Wei Xiang, Yingkai Zhang, Kan Zheng, Wenbo Wang:
Performance analysis of device-to-device communications underlaying cellular networks. Telecommun. Syst. 60(1): 29-41 (2015) - 2013
- [j2]Lei Lei, Yingkai Zhang, Xuemin (Sherman) Shen, Chuang Lin, Zhangdui Zhong:
Performance Analysis of Device-to-Device Communications with Dynamic Interference Using Stochastic Petri Nets. IEEE Trans. Wirel. Commun. 12(12): 6121-6141 (2013) - [c1]Yingkai Zhang, Lei Lei, Hang Long, Kan Zheng:
Performance analysis of user association policies in small cell networks using Stochastic Petri Nets. ICC Workshops 2013: 1194-1198
2000 – 2009
- 2009
- [j1]Han Zheng, Shenglong Wang, Yingkai Zhang:
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations. J. Comput. Chem. 30(16): 2706-2711 (2009)
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