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Correction: Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches
Son Tung
Ngo
*ab,
Trung Hai
Nguyen
ab,
Nguyen Thanh
Tung
cd,
Van V.
Vue
e,
Minh Quan
Pham
*df and
Binh Khanh
Mai
g
aLaboratory of Theoretical and Computational Biophysics, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam. E-mail: ngosontung@tdtu.edu.vn
bFaculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Vietnam
cInstitute of Materials Science, Vietnam Academy of Science and Technology, Hanoi, Vietnam. E-mail: minhquanaries@gmail.com
dGraduate University of Science and Technology, Vietnam Academy of Science and Technology, Hanoi, Vietnam
eNTT Hi-Tech Institute, Nguyen Tat Thanh University, Ho Chi Minh City, Vietnam
fInstitute of Natural Products Chemistry, Vietnam Academy of Science and Technology, Hanoi, Vietnam
gDepartment of Chemistry, University of Pittsburgh, Pittsburgh, PA, USA
First published on 13th December 2022
Abstract
Correction for ‘Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches’ by Son Tung Ngo et al., Phys. Chem. Chem. Phys., 2022, https://doi.org/10.1039/d2cp04476e.
The authors would like to make a correction to Fig. 8 in the published version of the article. The corrected figure is shown below.
 | ||
| Fig. 1 Schematic illustration of the calculation of the binding free energy between SARS-CoV-2 Mpro and a ligand via the FEP approach.115 (A) The full-interaction state of a ligand with Mpro and solvation. (B) The noninteraction state of a ligand with Mpro and solvation. (C) The full-interaction state of a ligand with solvation. (D) The noninteraction state of a ligand with solvation. The solvent is not shown for clarity. | ||
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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