| Mesoporous silica@ chitosan@ gold nanoparticles as “on/off” optical biosensor and pH-sensitive theranostic platform against cancer Y Esmaeili, M Khavani, A Bigham, A Sanati, E Bidram, L Shariati, ... International Journal of Biological Macromolecules 202, 241-255, 2022 | 56 | 2022 |
| Experimental and simulation study of the solvent effects on the intrinsic properties of spherical lignin nanoparticles T Zou, N Nonappa, M Khavani, M Vuorte, P Penttila, A Zitting, ... The Journal of Physical Chemistry B 125 (44), 12315-12328, 2021 | 48 | 2021 |
| A new electrochemical aptasensor based on MWCNT-SiO2@ Au core-shell nanocomposite for ultrasensitive detection of bisphenol A I Razavipanah, GH Rounaghi, B Deiminiat, S Damirchi, K Abnous, ... Microchemical Journal 146, 1054-1063, 2019 | 41 | 2019 |
| DFT investigation and molecular dynamic simulation on the selective complexation of cis-cyclic nanopeptides with alkaline earth metal ions M Khavani, M Izadyar, MR Housaindokht Sensors and Actuators B: Chemical 221, 1120-1129, 2015 | 35 | 2015 |
| A combined molecular dynamic and quantum mechanic study of the solvent and guest molecule effect on the stability and length of heterocyclic peptide nanotubes M Izadyar, M Khavani, MR Housaindokht Physical Chemistry Chemical Physics 17 (17), 11382-11391, 2015 | 33 | 2015 |
| Theoretical design and experimental study on the gold nanoparticles based colorimetric aptasensors for detection of neomycin B M Khavani, M Izadyar, MR Housaindokht Sensors and Actuators B: Chemical 300, 126947, 2019 | 31 | 2019 |
| Modeling of the functionalized gold nanoparticle aggregation in the presence of dopamine: a joint MD/QM study M Khavani, M Izadyar, MR Housaindokht The Journal of Physical Chemistry C 122 (45), 26130-26141, 2018 | 21 | 2018 |
| Quantum chemistry aspects of the solvent effects on 3, 4-dimethyl-2, 5-dihydrothiophen-1, 1-dioxide pyrolysis reaction M Izadyar, M Gholizadeh, M Khavani, MR Housaindokht The Journal of Physical Chemistry A 117 (12), 2427-2433, 2013 | 21 | 2013 |
| Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approach M Khavani, M Izadyar, MR Housaindokht Physical Chemistry Chemical Physics 17 (38), 25536-25549, 2015 | 20 | 2015 |
| DFT study on the selective complexation of B12N12 nanocage with alkali metal ions M Khavani, M Izadyar, MR Housaindokht Phosphorus, Sulfur, and Silicon and the Related Elements 193 (3), 178-184, 2018 | 18 | 2018 |
| Effect of ethanol and urea as solvent additives on PSS–PDADMA polyelectrolyte complexation M Khavani, P Batys, SM Lalwani, CI Eneh, A Leino, JL Lutkenhaus, ... Macromolecules 55 (8), 3140-3150, 2022 | 16 | 2022 |
| A joint QM/MD study on α-, β-and γ-cyclodextrins in selective complexation with cathinone M Khavani, R Kalantarinezhad, M Izadyar Supramolecular Chemistry 30 (8), 687-696, 2018 | 16 | 2018 |
| A molecular dynamic study on the ability of phosphorene for designing new sensor for SARS-CoV-2 detection A Mehranfar, M Khavani, M Izadyar Journal of Molecular Liquids 345, 117852, 2022 | 15 | 2022 |
| A combined molecular dynamics and quantum mechanics study on the interaction of Fe3+ and human serum albumin relevant to iron overload disease S Kaviani, M Izadyar, M Khavani, MR Housaindokht Journal of Molecular Liquids 317, 113933, 2020 | 15 | 2020 |
| Sensing ability of hybrid cyclic nanopeptides based on thiourea cryptands for different ions, A Joint DFT-D3/MD Study M Izadyar, M Khavani, MR Housaindokht The Journal of Physical Chemistry A 121 (1), 244-255, 2017 | 15 | 2017 |
| Glucose derivatives substitution and cyclic peptide diameter effects on the stability of the self-assembled cyclic peptide nanotubes; a joint QM/MD study M Khavani, M Izadyar, MR Housaindokht Journal of Molecular Graphics and Modelling 71, 28-39, 2017 | 15 | 2017 |
| Quantum chemistry aspects of the solvent effects on the ene reaction of 1‐Phenyl‐1, 3, 4‐triazolin‐2, 5‐dione and 2‐methyl‐2‐butene M Izadyar, M Khavani International Journal of Quantum Chemistry 114 (10), 666-674, 2014 | 15 | 2014 |
| Theoretical design of a new hydrogen storage based on the decorated phosphorene nanosheet by alkali metals A Ebrahimi, M Izadyar, M Khavani Journal of Physics and Chemistry of Solids 178, 111354, 2023 | 13 | 2023 |
| Smartphone-assisted lab-in-a-tube device using gold nanocluster-based aptasensor for detection of MUC1-overexpressed tumor cells A Sanati, Y Esmaeili, M Khavani, E Bidram, A Rahimi, A Dabiri, ... Analytica Chimica Acta 1252, 341017, 2023 | 13 | 2023 |
| A combined MD/QM study on the sensing mechanism of Pb2+ by glutathione functionalized gold nanoparticles M Khavani, M Izadyar, MR Housaindokht Journal of Molecular Liquids 280, 120-127, 2019 | 13 | 2019 |