Convergence-Adaptive Roundtrip Method Enables Rapid and Accurate FEP Calculations-Reference-Cited by-同舟云学术

Convergence-Adaptive Roundtrip Method Enables Rapid and Accurate FEP Calculations

Published:2024-09-05 Issue: Volume: Page:
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Yao Yufen¹,Liu Runduo¹,Li Wenchao¹,Huang Wanyi¹,Lai Yijun¹,Luo Hai-Bin²³,Li Zhe¹^ORCID

Affiliation:

1. State Key Laboratory of Anti-Infective Drug Discovery and Development, School of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou 510006, China

2. Key Laboratory of Tropical Biological Resources of Ministry of Education, School of Pharmaceutical Sciences, Hainan University, Haikou 570228, China

3. Song Li’ Academician Workstation of Hainan University (School of Pharmaceutical Sciences), Yazhou Bay, Sanya 572000, China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Science Foundation of Hainan Province

Fundamental Research Funds for Hainan University

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00939

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