Runduo Liu

Publication Activity (10 Years)

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

Top Topics

Posterior Distribution

Virtual Screening

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)
Yishui Li, Runduo Liu, Jie Liu, Haibin Luo, Chengkun Wu, Zhe Li
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations. J. Chem. Inf. Model. 63 (2) (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)