| Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An alternative … M Kamel, H Raissi, A Morsali, M Shahabi Applied Surface Science 434, 492-503, 2018 | 107 | 2018 |
| DFT calculations and molecular dynamics simulation study on the adsorption of 5-fluorouracil anticancer drug on graphene oxide nanosheet as a drug delivery vehicle F Safdari, H Raissi, M Shahabi, M Zaboli Journal of Inorganic and Organometallic Polymers and Materials 27, 805-817, 2017 | 97 | 2017 |
| Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method M Shahabi, H Raissi Journal of Biomolecular Structure and Dynamics 36 (10), 2517-2529, 2018 | 65 | 2018 |
| Investigation of the solvent effect, molecular structure, electronic properties and adsorption mechanism of Tegafur anticancer drug on Graphene nanosheet surface as drug … M Shahabi, H Raissi Journal of Inclusion Phenomena and Macrocyclic Chemistry 88, 159-169, 2017 | 62 | 2017 |
| Investigation of the molecular structure, electronic properties, AIM, NBO, NMR and NQR parameters for the interaction of Sc, Ga and Mg-doped (6, 0) aluminum nitride nanotubes … M Shahabi, H Raissi Journal of Inclusion Phenomena and Macrocyclic Chemistry 84, 99-114, 2016 | 45 | 2016 |
| Molecular dynamics simulation and quantum chemical studies on the investigation of aluminum nitride nanotube as phosgene gas sensor M Shahabi, H Raissi Journal of Inclusion Phenomena and Macrocyclic Chemistry 86, 305-322, 2016 | 39 | 2016 |
| Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles A Mortazavifar, H Raissi, M Shahabi Journal of Biomolecular Structure and Dynamics 37 (18), 4852-4862, 2019 | 38 | 2019 |
| Payload delivery of anticancer drug Tegafur with the assistance of graphene oxide nanosheet during biomembrane penetration: Molecular dynamics simulation survey M Shahabi, H Raissi Applied Surface Science 517, 146186, 2020 | 37 | 2020 |
| Predicting doxorubicin drug delivery by single-walled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study M Pakdel, H Raissi, M Shahabi Journal of Biomolecular Structure and Dynamics 38 (5), 1488-1498, 2020 | 35 | 2020 |
| Assessment of solvent effects on the inclusion behavior of pyrazinamide drug into cyclic peptide based nanotubes as novel drug delivery vehicles M Shahabi, H Raissi Journal of Molecular Liquids 268, 326-334, 2018 | 34 | 2018 |
| The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach R Khorram, H Raissi, A Morsali, M Shahabi Journal of Biomolecular Structure and Dynamics 37 (2), 454-464, 2019 | 31 | 2019 |
| Electronic structures, intramolecular hydrogen bond interaction, and aromaticity of substituted 4-amino-3-penten-2-one in ground and electronic excited state M Shahabi, H Raissi, F Mollania Structural Chemistry 26, 491-506, 2015 | 27 | 2015 |
| Comprehensive theoretical prediction of the dynamics and stability properties of Tegafur pharmaceutical agent on the Graphene based nanostructures in aqueous environment M Shahabi, H Raissi Applied Surface Science 455, 32-36, 2018 | 23 | 2018 |
| Analysis of the structures, energetics, and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent: a detailed … R Khorram, H Raissi, M Shahabi Structural Chemistry 29, 1165-1174, 2018 | 16 | 2018 |
| Assessment of DFT calculations and molecular dynamics simulation on the application of zinc oxide nanotube as hydrogen cyanide gas sensor M Shahabi, H Raissi Journal of Inorganic and Organometallic Polymers and Materials 27, 1878-1885, 2017 | 16 | 2017 |
| The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment H Moradnia, H Raissi, M Shahabi Journal of Biomolecular Structure and Dynamics 39 (3), 881-888, 2021 | 11 | 2021 |
| The transport of Idarubicin therapeutic agent using a novel graphene sheet as a drug delivery platform through a biomembrane M Shahabi, H Raissi Journal of Molecular Liquids 323, 115050, 2021 | 11 | 2021 |
| Assessment of sulfobutylether-beta-cyclodextrin as a promising Fluorometholone molecule container: DFT, Docking, Molecular dynamics and MM-PBSA free energy calculations GR Jafari, H Raissi, M Shahabi Molecular Simulation 48 (2), 168-175, 2022 | 10 | 2022 |
| Two dimensional porous frameworks of graphyne family as therapeutic delivery vehicles for Idarubicin biomolecule in silico: Density functional theory and molecular dynamics … M Shahabi, H Raissi Journal of Molecular Liquids 319, 114334, 2020 | 10 | 2020 |
| Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs Z Ghadri, H Raissi, M Shahabi, F Farzad Molecular Simulation 46 (2), 111-120, 2020 | 10 | 2020 |
