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• 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

• Xiao He —disambiguation page
• Xiao He0001 — Tsinghua University, Department of Automation, TNList, Beijing, China
• Xiao He0002 — Ludwig Maximilians University Munich, Germany
• Xiao He0003 — Dalian University of Technology, School of Mathematical Sciences, China
• Xiao He0005 —University of Science and Technology Beijing, School of Computer and Communication Engineering, China(and 1 more)
• Xiao He0006 —China Electronic Product Reliability and Environmental Testing Research Institute, CEPREI, Reliability Analysis Center, RAC, Guangzhou, China(and 1 more)
• Xiao He0008 —Alibaba Group, Alibaba Cloud, Hangzhou, China(and 1 more)
• Xiao He0009 —Systems Engineering Research Institute, China State Shipbuilding Corporation, CSSC, Beijing, China(and 1 more)
• Xiao He0010 — China University of Geosciences, School of Computer Science, Wuhan, China
• Xiao He0011 — Hubei University of Technology, Wuhan, China
• Xiao He0012 — China University of Petroleum, School of Computer Science and Technology, Qingdao, China
• Xiao He0013 — Central South University, Department of Geo-Informatics, Changsha, China
• Xiao He0014 — Xidian University, State Key Laboratory of Integrated Services Networks, School of Telecommunications Engineering, Shaanxi, China
• Xiao He0015 — Uisee Foundation Research and Development, Beijing, China
• Xiao He0016 — Hangzhou Dianzi University, College of Electronics and Information, China
• Xiao He0017 — Chinese Academy of Sciences, State Key Laboratory of Acoustics, Institute of Acoustics, Beijing, China

• Tian-Xiao He
• Xiao-Chen He
• Xiao-Ling He
• Xiao-Xin He(aka: Xiaoxin He)
• Xiao-Yong He
• Xiaoping He(aka: Xiao-Ping He) —disambiguation page
• Yan-Xiao He
• Yi-Xiao He
• Xiao-Ting He0001(aka: Xiaoting He0001) — Chongqing University, School of Civil Engineering, China
• He Xiao —disambiguation page
• show all similar names

• 2024
• 
  [j13]
  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)
• 
  [j12]
  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)
• 
  [j11]
  Yongle Li,Yuhao Chen,Xiao He:
  Teaching spin symmetry while learning neural network wave functions.Nat. Comput. Sci.4(12):884-885 (2024)
• 
  [c1]
  Honghui Shang,Ying Liu,Zhikun Wu,Zhenchuan Chen,Jinfeng Liu,Meiyue Shao,Yingzhou Li,Bowen Kan,Huimin Cui,Xiaobing Feng,Yunquan Zhang,Donald G. Truhlar,Hong An,Xiao He,Jinlong Yang:
  Pushing the Limit of Quantum Mechanical Simulation to the Raman Spectra of a Biological System with 100 Million Atoms.SC2024:5
• 
  [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.CoRRabs/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. Medicine152:106350 (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.CoRRabs/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)

• 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 withCandida 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)

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