An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations-Reference-Cited by-同舟云学术

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

Published:2022-12-30 Issue:2 Volume:63 Page:561-570
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Li Yishui¹²,Liu Runduo³,Liu Jie¹²,Luo Haibin⁴,Wu Chengkun⁵,Li Zhe³^ORCID

Affiliation:

1. Science and Technology on Parallel and Distributed Processing Laboratory, National University of Defense Technology, Changsha410073, Hunan, P.R. China

2. Laboratory of Software Engineering for Complex System, National University of Defense Technology, Changsha410073, Hunan, P.R. China

3. School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou510275, Guangdong, P.R. China

4. Key Laboratory of Tropical Biological Resources of Ministry of Education, School of Pharmaceutical Sciences, Hainan University, Haikou570228, Hainan, P.R. China

5. State Key Laboratory of High-Performance Computing, National University of Defense Technology, Changsha410073, Hunan, P.R. China

Funder

Natural Science Foundation of Guangzhou City

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01076

Reference37 articles.