Hai-Bin Luo

Publication Activity (10 Years)

Years Active: 2011-2023
Publications (10 Years): 4

Top Topics

Qualitative Analysis

Similarity Searching

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

Int. J. High Perform. Comput. Appl.

Publications

Chao Xu, Runduo Liu, Shuheng Huang, Wenchao Li, Zhe Li, Hai-Bin Luo
3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation. Briefings Bioinform. 24 (6) (2023)
Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19. Int. J. High Perform. Comput. Appl. 37 (1) (2023)
Runduo Liu, Wenchao Li, Yufen Yao, Yinuo Wu, Hai-Bin Luo, Zhe Li
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function. J. Chem. Inf. Model. 63 (24) (2023)
Chen Zhang, Ling-Jun Feng, Yi-You Huang, Deyan Wu, Zhe Li, Qian Zhou, Yinuo Wu, Hai-Bin Luo
Discovery of Novel Phosphodiesterase-2A Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay. J. Chem. Inf. Model. 57 (2) (2017)
Jingwei Zhou, Hujun Xie, Zhihong Liu, Hai-Bin Luo, Ruibo Wu
Structure-Function Analysis of the Conserved Tyrosine and Diverse π-Stacking among Class I Histone Deacetylases: A QM (DFT)/MM MD Study. J. Chem. Inf. Model. 54 (11) (2014)
Zhe Li, Ying-Hong Cai, Yuen-Kit Cheng, Xiao Lu, Yong-Xian Shao, Xingshu Li, Ming Liu, Peiqing Liu, Hai-Bin Luo
Identification of Novel Phosphodiesterase-4D Inhibitors Prescreened by Molecular Dynamics-Augmented Modeling and Validated by Bioassay. J. Chem. Inf. Model. 53 (4) (2013)
Yi-You Huang, Zhe Li, Ying-Hong Cai, Ling-Jun Feng, Yinuo Wu, Xingshu Li, Hai-Bin Luo
The Molecular Basis for the Selectivity of Tadalafil toward Phosphodiesterase 5 and 6: A Modeling Study. J. Chem. Inf. Model. 53 (11) (2013)
Jin-Qiang Hou, Shuo-Bin Chen, Jia-Heng Tan, Hai-Bin Luo, Ding Li, Lian-Quan Gu, Zhi-Shu Huang
New insights from molecular dynamic simulation studies of the multiple binding modes of a ligand with G-quadruplex DNA. J. Comput. Aided Mol. Des. 26 (12) (2012)
Jiansong Fang, Dane Huang, Wenxia Zhao, Hu Ge, Hai-Bin Luo, Jun Xu
A New Protocol for Predicting Novel GSK-3β ATP Competitive Inhibitors. J. Chem. Inf. Model. 51 (6) (2011)