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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 4(22), p. 2530-2539, 2020

DOI: 10.1039/c9cp05639d

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Concerted hydrolysis mechanism of HIV-1 natural substrate against subtypes B and C-SA PR: insight through molecular dynamics and hybrid QM/MM studies

Journal article published in 2020 by Zainab K. Sanusi, Monsurat M. Lawal, Thavendran Govender ORCID, Sooraj Baijnath ORCID, Tricia Naicker ORCID, Glenn E. M. Maguire ORCID, Bahareh Honarparvar ORCID, Hendrik G. Kruger ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Graphical representation of the concerted acyclic transition model of an HIV-1 natural substrate using the two-layered ONIOM (B3LYP/6-31++G(d,p):AMBER) method.