Bahareh Honarparvar
Bahareh Honarparvar
School of Pharmacy and Pharmacology, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South Africa
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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
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
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
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
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
QSAR analysis on tacrine-related acetylcholinesterase inhibitors
KY Wong, AG Mercader, LM Saavedra, B Honarparvar, GP Romanelli, ...
Journal of biomedical science 21 (1), 1-8, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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