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An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein–ligand binding affinity

Crossref DOI link: https://doi.org/10.1039/C9NR10638C

Published Online: 2020

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Huang, Kaifang https://orcid.org/0000-0002-2444-7638
Luo, Song

Cong, Yalong

Zhong, Susu

Zhang, John Z. H. https://orcid.org/0000-0003-2853-7910
Duan, Lili https://orcid.org/0000-0003-3838-1956
Funding

Funding for this research was provided by:

National Natural Science Foundation of China (11774207, 11574184, 91753103)

New York University
License Information

Accepted Manuscript valid from 2021-04-17
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Kaifang Huang (ORCID)

: John Z. H. Zhang (ORCID)

: Lili Duan (ORCID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 17 December 2019; Accepted 17 April 2020; Accepted Manuscript published 17 April 2020; Advance Article published 10 May 2020; Version of Record published 21 May 2020