Xiao He

Publication Activity (10 Years)

Years Active: 2013-2024
Publications (10 Years): 8

Top Topics

Virtual Screening

Protein Structure

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

IEEE Comput. Intell. Mag.

Nat. Comput. Sci.

Publications

Yan Zhang, Xiao He, Shuanhu Gao, Aimin Zhou, Hao Hao
Evolutionary Retrosynthetic Route Planning [Research Frontier]. IEEE Comput. Intell. Mag. 19 (3) (2024)
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) (2023)
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) (2023)
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) (2021)
Jingxiao Bao, Xiao He, John Z. H. Zhang
Development of a New Scoring Function for Virtual Screening: APBScore. J. Chem. Inf. Model. 60 (12) (2020)
Yaqian Wang, Jinfeng Liu, Jinjin Li, Xiao He
Fragment-based quantum mechanical calculation of protein-protein binding affinities. J. Comput. Chem. 39 (21) (2018)
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) (2016)
Zhiqiang Yao, Lujia Zhang, Bei Gao, Dongbing Cui, Fengqing Wang, Xiao He, John Z. H. Zhang, Dongzhi Wei
Lipase B. J. Chem. Inf. Model. 56 (10) (2016)
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) (2013)