| Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz MA Jordaan, O Ebenezer, N Damoyi, M Shapi Heliyon 6 (8), 2020 | 57 | 2020 |
| Density functional theory studies of the uncatalysed gas-phase oxidative dehydrogenation conversion of n-hexane to hexenes NE Damoyi, HB Friedrich, HG Kruger, D Willock Computational and Theoretical Chemistry 1114, 153-164, 2017 | 13 | 2017 |
| Amide imidic prototropic tautomerization of efavirenz, NBO analysis, hyperpolarizability, polarizability and HOMO–LUMO calculations using density functional theory MA Jordaan, O Ebenezer, K Mthiyane, N Damoyi, M Shapi Computational and Theoretical Chemistry 1201, 113273, 2021 | 11 | 2021 |
| Unveiling of pyrimidindinones as potential anti-norovirus agents—a pharmacoinformatic-based approach O Ebenezer, N Damoyi, MA Jordaan, M Shapi Molecules 27 (2), 380, 2022 | 10 | 2022 |
| Discovery of potential inhibitors for RNA-dependent RNA polymerase of norovirus: Virtual screening, and molecular dynamics O Ebenezer, MA Jordaan, N Damoyi, M Shapi International Journal of Molecular Sciences 22 (1), 171, 2020 | 10 | 2020 |
| Predicting new anti-norovirus inhibitor with the help of machine learning algorithms and molecular dynamics simulation–based model O Ebenezer, N Damoyi, M Shapi Frontiers in chemistry 9, 753427, 2021 | 7 | 2021 |
| A DFT mechanistic study of the ODH of n-hexane over isolated H3VO4 NE Damoyi, HB Friedrich, GH Kruger, D Willock Molecular Catalysis 452, 83-92, 2018 | 6 | 2018 |
| A Molecular Docking Study Reveals That Short Peptides Induce Conformational Changes in the Structure of Human Tubulin Isotypes αβI, αβII, αβIII and αβIV O Ebenezer, N Damoyi, M Shapi, GKS Wong, Tuszynski, J.A. Journal of Functional Biomaterials 14, 135, 2023 | 1 | 2023 |
| Development of some graduate attributes through constructive alignment for formative assessments of practicals: A case of chemistry students N Damoyi, T Makhathini Advances in Social Science, Education and Humanities Research - Proceedings …, 2023 | | 2023 |
| A DFT study of the catalytic ODH of n-hexane over a cluster model of vanadium oxide N Damoyi, H Friedrich, G Kruger, D Willock Molecular Catalysis 541, 113078, 2023 | | 2023 |
| Density functional theory studies of the non-catalytic and catalytic oxidative dehydrogenation reaction of n hexane to 1 and 2 hexene. NE Damoyi | | 2017 |
Dr. Maryam Amra JordaanMangosuthu University of TechnologyVerified email at mut.ac.za
