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Author/Creator Honarparvar, Bahareh

1. A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis. Issue 11 (1st November 2016)

Authors:
Fakhar, Zeynab; Naiker, Suhashni; Alves, Claudio N.; Govender, Thavendran; Maguire, Glenn E.M.; Lameira, Jeronimo; Lamichhane, Gyanu; Kruger, Hendrik G.; Honarparvar, Bahareh
Journal:
Journal of biomolecular structure & dynamics
Issue:
Volume 34:Issue 11(2016)
Page Start:
2399
Record Type:
Journal Article
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2. Concerted hydrolysis mechanism of HIV-1 natural substrate against subtypes B and C-SA PR: insight through molecular dynamics and hybrid QM/MM studies. Issue 4 (16th January 2020)

Authors:
Sanusi, Zainab K.; Lawal, Monsurat M.; Govender, Thavendran; Baijnath, Sooraj; Naicker, Tricia; Maguire, Glenn E. M.; Honarparvar, Bahareh; Kruger, Hendrik G.
Journal:
Physical chemistry chemical physics
Issue:
Volume 22:Issue 4(2019)
Page Start:
2530
Record Type:
Journal Article
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4. Exploring the concerted mechanistic pathway for HIV-1 PR—substrate revealed by umbrella sampling simulation. Issue 4 (4th March 2022)

Authors:
Sanusi, Zainab K.; Lawal, Monsurat M.; Gupta, Pancham Lal.; Govender, Thavendran; Baijnath, Sooraj; Naicker, Tricia; Maguire, Glenn E. M.; Honarparvar, Bahareh; Roitberg, Adrian E.; Kruger, Hendrik G.
Journal:
Journal of biomolecular structure & dynamics
Issue:
Volume 40:Issue 4(2022)
Page Start:
1736
Record Type:
Journal Article
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5. Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA‐approved inhibitors: MD study. (24th September 2018)

Authors:
Maphumulo, Siyabonga I.; Halder, Amit K.; Govender, Thavendran; Maseko, Sibusiso; Maguire, Glenn E. M.; Honarparvar, Bahareh; Kruger, Hendrik G.
Journal:
Chemical biology & drug design
Issue:
Volume 92:Number 5(2018)
Page Start:
1899
Record Type:
Journal Article
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6. Inhibition of Mycobacterium tuberculosis L, D‐Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies. Issue 48 (21st December 2018)

Authors:
Tolufashe, Gideon F.; Halder, Amit K.; Ibeji, Collins U.; Lawal, Monsurat M.; Ntombela, Thandokuhle; Govender, Thavendran; Maguire, Glenn E. M.; Lamichhane, Gyanu; Kruger, Hendrik G.; Honarparvar, Bahareh
Journal:
ChemistrySelect
Issue:
Volume 3:Issue 48(2018)
Page Start:
13603
Record Type:
Journal Article
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7. Mechanistic insight on the inhibition of D, D-carboxypeptidase from Mycobacterium tuberculosis by β-lactam antibiotics: an ONIOM acylation study. Issue 17 (22nd November 2022)

Authors:
Ntombela, Thandokuhle; Seupersad, Anya; Maseko, Sibusiso; Ibeji, Collins U.; Tolufashe, Gideon; Maphumulo, Siyabonga Innocent; Naicker, Tricia; Baijnath, Sooraj; Maguire, Glenn E. M.; Govender, Thavendran; Lamichhane, Gyanu; Honarparvar, Bahareh; Kruger, Hendrik G.
Journal:
Journal of biomolecular structure & dynamics
Issue:
Volume 40:Issue 17(2022)
Page Start:
7645
Record Type:
Journal Article
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9. Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors. (February 2013)

Authors:
Makatini, Maya M.; Petzold, Katja; Alves, Cláudio Nahum; Arvidsson, Per I.; Honarparvar, Bahareh; Govender, Patrick; Govender, Thavendran; Kruger, Hendrik G.; Sayed, Yasien; JerônimoLameira, ; Maguire, Glenn E. M.; Soliman, Mahmoud E.S.
Journal:
Journal of enzyme inhibition and medicinal chemistry
Issue:
Volume 28:Number 1(2013:Feb.)
Page Start:
78
Record Type:
Journal Article
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10. The catalytic role of water in the binding site of l, d-transpeptidase 2 within acylation mechanism: A QM/MM (ONIOM) modelling. (December 2018)

Authors:
Ibeji, Collins U.; Tolufashe, Gideon F.; Ntombela, Thandokuhle; Govender, Thavendran; Maguire, Glenn E.M.; Lamichhane, Gyanu; Kruger, Hendrik G.; Honarparvar, Bahareh
Journal:
Tuberculosis
Issue:
Volume 113(2018)
Page Start:
222
Record Type:
Journal Article
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