| Theoretical Description of Electromagnetic Nonbonded Interactions of Radical, Cationic, and Anionic NH2BHNBHNH2 Inside of the B18N18 Nanoring M Monajjemi, VS Lee, M Khaleghian, B Honarparvar, F Mollaamin The Journal of Physical Chemistry C 114 (36), 15315-15330, 2010 | 161 | 2010 |
| Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity B Honarparvar, T Govender, GEM Maguire, MES Soliman, HG Kruger Chemical reviews 114 (1), 493-537, 2014 | 128 | 2014 |
| Green synthesis, characterization and electrochemical sensing of silymarin by ZnO nanoparticles: Experimental and DFT studies D Sharma, MI Sabela, S Kanchi, K Bisetty, AA Skelton, B Honarparvar Journal of Electroanalytical Chemistry 808, 160-172, 2018 | 74 | 2018 |
| A DFT study of hydrogen chemisorption on V (100) surfaces F Mollaamin, MT Baei, M Monajjemi, R Zhiani, B Honarparvar Russian Journal of Physical Chemistry A, Focus on Chemistry 82 (13), 2354-2361, 2008 | 73 | 2008 |
| Substituent and solvent effects on the structural bioactivity and anticancer characteristic of catechin as a bioactive constituent of green tea M Monajjemi, M Khosravi, B Honarparvar, F Mollaamin International journal of quantum chemistry 111 (12), 2771-2777, 2011 | 66 | 2011 |
| QSAR analysis on tacrine-related acetylcholinesterase inhibitors KY Wong, AG Mercader, LM Saavedra, B Honarparvar, GP Romanelli, ... Journal of biomedical science 21, 1-8, 2014 | 65 | 2014 |
| Thermodynamic investigation of Enol↔ Keto tautomerism for alcohol sensors based on carbon nanotubes as chemical sensors M Monajjemi, L Mahdavian, F Mollaamin, B Honarparvar Fullerenes, Nanotubes and Carbon Nanostructures 18 (1), 45-55, 2010 | 64 | 2010 |
| The effect of N-methylation of amino acids (Ac-X-OMe) on solubility and conformation: a DFT study SMA Rauf, PI Arvidsson, F Albericio, T Govender, GEM Maguire, ... Organic & biomolecular chemistry 13 (39), 9993-10006, 2015 | 62 | 2015 |
| An ab initio quantum chemical investigation of solvent-induced effect on 14N-NQR parameters of alanine, glycine, valine, and serine using a polarizable continuum … M Monajjemi, B Honarparvar, HH Haeri, M Heshmat Russian journal of physical chemistry 80, S40-S44, 2006 | 60 | 2006 |
| NQR and NMR study of hydrogen bonding interactions in anhydrous and monohydrated guanine cluster model: A computational study M Monajjemi, B Honarparvar, SM Nasseri, M Khaleghian Journal of structural chemistry 50, 67-77, 2009 | 55 | 2009 |
| A theoretical thermochemical study of solute-solvent dielectric effects in the displacement of codon-anticodon base pairs M Monajjemi, MH Razavian, F Mollaamin, F Naderi, B Honarparvar Russian Journal of Physical Chemistry A, Focus on Chemistry 82, 2277-2285, 2008 | 55 | 2008 |
| Computational model for the acylation step of the β-lactam ring: potential application for l, d-transpeptidase 2 in mycobacterium tuberculosis Z Fakhar, T Govender, G Lamichhane, GEM Maguire, HG Kruger, ... Journal of Molecular Structure 1128, 94-102, 2017 | 52 | 2017 |
| DFT study of the acid‐catalyzed esterification reaction mechanism of methanol with carboxylic acid and its halide derivatives MM Lawal, T Govender, GEM Maguire, HG Kruger, B Honarparvar International Journal of Quantum Chemistry 118 (4), e25497, 2018 | 49 | 2018 |
| Theoretical study of solvent effect on NMR shielding tensors of luciferin derivatives EM Sarasia, S Afsharnezhad, B Honarparvar, F Mollaamin, M Monajjemi Physics and Chemistry of Liquids 49 (5), 561-571, 2011 | 49 | 2011 |
| Mechanistic investigation of the uncatalyzed esterification reaction of acetic acid and acid halides with methanol: a DFT study MM Lawal, T Govender, GEM Maguire, B Honarparvar, HG Kruger Journal of molecular modeling 22, 1-12, 2016 | 45 | 2016 |
| Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: A hybrid 2D NMR and docking/QM/MM/MD approach MM Makatini, K Petzold, SN Sriharsha, N Ndlovu, MES Soliman, ... European journal of medicinal chemistry 46 (9), 3976-3985, 2011 | 45 | 2011 |
| Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease MM Makatini, K Petzold, SN Sriharsha, MES Soliman, B Honarparvar, ... Bioorganic & medicinal chemistry letters 21 (8), 2274-2277, 2011 | 43 | 2011 |
| Differential flap dynamics in l, d-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics Z Fakhar, T Govender, GEM Maguire, G Lamichhane, RC Walker, ... Molecular BioSystems 13 (6), 1223-1234, 2017 | 38 | 2017 |
| Investigation of NQR parameters on the tetrazole-azide tautomeric equilibria: a DFT study M Monajjemi, B Honarparvar, H Monajemi Journal of the Mexican Chemical Society 50 (4), 143-148, 2006 | 38 | 2006 |
| Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis B Nizami, D Sydow, G Wolber, B Honarparvar Molecular Biosystems 12 (11), 3385-3395, 2016 | 27 | 2016 |
