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. Journal of Chemical Information and Computer Sciences, 63(24):7755-7767, December 2023. [doi]
@article{LiuLYWLL23,
title = {Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function},
author = {Runduo Liu and Wenchao Li and Yufen Yao and Yinuo Wu and Hai-Bin Luo and Zhe Li},
year = {2023},
month = {December},
doi = {10.1021/acs.jcim.3c01670},
url = {https://doi.org/10.1021/acs.jcim.3c01670},
researchr = {https://researchr.org/publication/LiuLYWLL23},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {63},
number = {24},
pages = {7755-7767},
}