Runduo Liu

According to our database, Runduo Liu authored at least 4 papers in 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function.

Runduo Liu, Wenchao Li, Yufen Yao, Yinuo Wu, Hai-Bin Luo, Zhe Li

J. Chem. Inf. Model., December, 2023

3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation.

Chao Xu, Runduo Liu, Shuheng Huang, Wenchao Li, Zhe Li, Hai-Bin Luo

Briefings Bioinform., September, 2023

An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations.

Yishui Li, Runduo Liu, Jie Liu, Haibin Luo, Chengkun Wu, Zhe Li

J. Chem. Inf. Model., January, 2023

Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.

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

Int. J. High Perform. Comput. Appl., 2023