Crystal, spectroscopic and quantum mechanics studies of Schiff bases derived from 4-nitrocinnamaldehyde von Ani, Friday E., Ibeji, Collins U., Obasi, Nnamdi L., Kelani, Monsuru T., Ukogu, Kingsley, Tolufashe, Gideon F., Ogundare, Segun A., Oyeneyin, Oluwatoba E., Maguire, Glenn E. M., Kruger, Hendrik G.

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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 von Sanusi, Zainab K, Lawal, Monsurat M, Govender, Thavendran, Baijnath, Sooraj, Naicker, Tricia, Maguire, Glenn E. M, Honarparvar, Bahareh, Kruger, Hendrik G

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The Current Status of Heterogeneous Palladium Catalysed Heck and Suzuki Cross-Coupling Reactions von Mpungose, Philani P, Vundla, Zanele P, Maguire, Glenn E M, Friedrich, Holger B

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Enantioselective Organocatalyzed Transformations of β‑Ketoesters von Govender, Thavendran, Arvidsson, Per I, Maguire, Glenn E. M, Kruger, Hendrik G, Naicker, Tricia

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Integrated Approach to Structure-Based Enzymatic Drug Design: Molecular Modeling, Spectroscopy, and Experimental Bioactivity von Honarparvar, Bahareh, Govender, Thavendran, Maguire, Glenn E. M, Soliman, Mahmoud E. S, Kruger, Hendrik G

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The role of nanotechnology in the treatment of viral infections von Singh, Lavanya, Kruger, Hendrik G., Maguire, Glenn E.M., Govender, Thavendran, Parboosing, Raveen

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Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: A hybrid 2D NMR and docking/QM/MM/MD approach von Makatini, Maya M., Petzold, Katja, Sriharsha, Shimoga N., Ndlovu, N., Soliman, Mahmoud E.S., Honarparvar, Bahareh, Parboosing, Raveen, Naidoo, Anneta, Arvidsson, Per I., Sayed, Yasien, Govender, Patrick, Maguire, Glenn E.M., Kruger, Hendrik G., Govender, Thavendran

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Theoretical Model for HIV‑1 PR That Accounts for Substrate Recognition and Preferential Cleavage of Natural Substrates von Sanusi, Zainab K, Lawal, Monsurat M, Govender, Thavendran, Maguire, Glenn E. M, Honarparvar, Bahareh, Kruger, Hendrik G

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Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease von Makatini, Maya M., Petzold, Katja, Sriharsha, Shimoga N., Soliman, Mahmoud E.S., Honarparvar, Bahareh, Arvidsson, Per I., Sayed, Yasien, Govender, Patrick, Maguire, Glenn E.M., Kruger, Hendrik G., Govender, Thavendran

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Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review von Sabe, Victor T., Ntombela, Thandokuhle, Jhamba, Lindiwe A., Maguire, Glenn E.M., Govender, Thavendran, Naicker, Tricia, Kruger, Hendrik G.

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The effect of N-methylation of amino acids (Ac-X-OMe) on solubility and conformation: a DFT study von Md Abdur Rauf, Shah, Arvidsson, Per I, Albericio, Fernando, Govender, Thavendran, Maguire, Glenn E M, Kruger, Hendrik G, Honarparvar, Bahareh

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Nanotechnology and the treatment of HIV infection von Parboosing, Raveen, Maguire, Glenn E M, Govender, Patrick, Kruger, Hendrik G

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Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors von Makatini, Maya M., Petzold, Katja, Arvidsson, Per I., Honarparvar, Bahareh, Govender, Thavendran, Maguire, Glenn E.M., Parboosing, Raveen, Sayed, Yasien, Soliman, Mahmoud E.S., Kruger, Hendrik G.

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Differential flap dynamics in l,d-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics von Fakhar, Zeynab, Govender, Thavendran, Maguire, Glenn E M, Lamichhane, Gyanu, Walker, Ross C, Kruger, Hendrik G, Honarparvar, Bahareh

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The Oxidation of Electron-Rich Arenes Using a H2O2–Proline System von Chetty, Lloyd C., Kruger, Hendrik G., Arvidsson, Per I., Maguire, Glenn E. M., Govender, Thavendran, Naicker, Tricia

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The catalytic role of water in the binding site of l,d-transpeptidase 2 within acylation mechanism: A QM/MM (ONIOM) modelling von Ibeji, Collins U., Tolufashe, Gideon F., Ntombela, Thandokuhle, Govender, Thavendran, Maguire, Glenn E.M., Lamichhane, Gyanu, Kruger, Hendrik G., Honarparvar, Bahareh

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Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems von Silva, José Rogério A, Govender, Thavendran, Maguire, Glenn E M, Kruger, Hendrik G, Lameira, Jerônimo, Roitberg, Adrian E, Alves, Cláudio Nahum

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Novel polycyclic ‘cage’-1,2-diamines as potential anti-tuberculosis agents von Onajole, Oluseye K., Coovadia, Yacoob, Kruger, Hendrik G., Maguire, Glenn E.M., Pillay, Melendhran, Govender, Thavendran

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Optimized Procedure for Recovering HIV-1 Protease (C-SA) from Inclusion Bodies von Maseko, Sibusiso B., Govender, Deidre, Govender, Thavendran, Naicker, Tricia, Lin, Johnson, Maguire, Glenn E. M., Kruger, Hendrik G.

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The Heterogeneous Aminohydroxylation Reaction Using Hydrotalcite-Like Catalysts Containing Osmium von Fadlalla, Mohamed, Maguire, Glenn, Friedrich, Holger

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