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ORCIDXiao He 0004
Person information
- affiliation: East China Normal University, School of Chemistry and Molecular Engineering, Shanghai, China
- affiliation (PhD 2010): University of Florida, Department of Chemistry, Gainesville, FL, USA
Other persons with the same name
- Xiao He — disambiguation page
- Xiao He 0001
![[0000-0003-3998-7060]](https://dblp.uni-trier.de./img/orcid-mark.12x12.png "0000-0003-3998-7060")
— Tsinghua University, Department of Automation, TNList, Beijing, China - Xiao He 0002 — Ludwig Maximilians University Munich, Germany
- Xiao He 0003 — Dalian University of Technology, School of Mathematical Sciences, China
- Xiao He 0005 — University of Science and Technology Beijing, School of Computer and Communication Engineering, China (and 1 more)
- Xiao He 0006 — China Electronic Product Reliability and Environmental Testing Research Institute, CEPREI, Reliability Analysis Center, RAC, Guangzhou, China (and 1 more)
- Xiao He 0008 — Alibaba Group, Alibaba Cloud, Hangzhou, China (and 1 more)
- Xiao He 0009 — Systems Engineering Research Institute, China State Shipbuilding Corporation, CSSC, Beijing, China (and 1 more)
- Xiao He 0010 — China University of Geosciences, School of Computer Science, Wuhan, China
- Xiao He 0011 — Hubei University of Technology, Wuhan, China
- Xiao He 0012 — China University of Petroleum, School of Computer Science and Technology, Qingdao, China
- Xiao He 0013 — Central South University, Department of Geo-Informatics, Changsha, China
- Xiao He 0014 — Xidian University, State Key Laboratory of Integrated Services Networks, School of Telecommunications Engineering, Shaanxi, China
- Xiao He 0015 — Uisee Foundation Research and Development, Beijing, China
- Xiao He 0016 — Hangzhou Dianzi University, College of Electronics and Information, China
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2020 – today
- 2024
[j12]Yan Zhang, Xiao He, Shuanhu Gao, Aimin Zhou, Hao Hao:
Evolutionary Retrosynthetic Route Planning [Research Frontier]. IEEE Comput. Intell. Mag. 19(3): 58-72 (2024)- [j11]Yili Chen, Zheng Wan, Yangyang Li, Xiao He, Xian Wei, Jun Han:
Graph Curvature Flow-Based Masked Attention. J. Chem. Inf. Model. 64(21): 8153-8163 (2024) - [i2]Xiangxiang Shen, Zheng Wan, Lingfeng Wen, Licheng Sun, Ou Yang Ming Jie, Xuan Tang, Xian Zeng, Mingsong Chen, Xiao He, Xian Wei:
Zeoformer: Coarse-Grained Periodic Graph Transformer for OSDA-Zeolite Affinity Prediction. CoRR abs/2408.12984 (2024) - 2023
- [j10]Jianda Yue, Yaqi Li, Fengjiao Li, Peng Zhang, Yimin Li, Jiawei Xu, Qianqian Zhang, Cheng Zhang, Xiao He, Ying Wang, Zhonghua Liu:
Discovery of Mcl-1 inhibitors through virtual screening, molecular dynamics simulations and in vitro experiments. Comput. Biol. Medicine 152: 106350 (2023) - [j9]Lan Yu, Xiao He, Xiaomin Fang, Lihang Liu, Jinfeng Liu:
Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening. J. Chem. Inf. Model. 63(21): 6501-6514 (2023) - [j8]Yiwei Liu, Cheng Zhang, Zhonghua Liu, Donald G. Truhlar, Ying Wang, Xiao He:
Supervised learning of a chemistry functional with damped dispersion. Nat. Comput. Sci. 3(1): 48-58 (2023) - [i1]Yan Zhang, Hao Hao, Xiao He, Shuanhu Gao, Aimin Zhou:
Evolutionary Retrosynthetic Route Planning. CoRR abs/2310.05186 (2023) - 2022
- [j7]Yimin Li, Yaqi Li, Chao Ning, Jianda Yue, Cheng Zhang, Xiao He, Ying Wang, Zhonghua Liu:
Discovering inhibitors of TEAD palmitate binding pocket through virtual screening and molecular dynamics simulation. Comput. Biol. Chem. 98: 107648 (2022) - 2021
- [j6]Jingxiao Bao, Xiao He, John Z. H. Zhang:
DeepBSP - a Machine Learning Method for Accurate Prediction of Protein-Ligand Docking Structures. J. Chem. Inf. Model. 61(5): 2231-2240 (2021) - 2020
- [j5]Jingxiao Bao, Xiao He, John Z. H. Zhang:
Development of a New Scoring Function for Virtual Screening: APBScore. J. Chem. Inf. Model. 60(12): 6355-6365 (2020)
2010 – 2019
- 2018
- [j4]Yaqian Wang, Jinfeng Liu, Jinjin Li, Xiao He:
Fragment-based quantum mechanical calculation of protein-protein binding affinities. J. Comput. Chem. 39(21): 1617-1628 (2018) - 2016
- [j3]Xiao Liu, Jinfeng Liu, Tong Zhu, Lujia Zhang, Xiao He, John Z. H. Zhang:
PBSA_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding Affinity. J. Chem. Inf. Model. 56(5): 854-861 (2016) - [j2]Zhiqiang Yao, Lujia Zhang, Bei Gao, Dongbing Cui, Fengqing Wang, Xiao He, John Z. H. Zhang, Dongzhi Wei:
A Semiautomated Structure-Based Method To Predict Substrates of Enzymes via Molecular Docking: A Case Study with Candida antarctica Lipase B. J. Chem. Inf. Model. 56(10): 1979-1994 (2016) - 2013
- [j1]Jinfeng Liu, Xiao He, John Z. H. Zhang:
Improving the Scoring of Protein-Ligand Binding Affinity by Including the Effects of Structural Water and Electronic Polarization. J. Chem. Inf. Model. 53(6): 1306-1314 (2013)
Coauthor Index
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