| 41 | Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane | ameneh zaboli arbab din mohamad | Scientific Reports | 2021 |
| 42 | Assessment of the effect of external and internal triggers on adsorption and release of paclitaxel from the PEI functionalized silicene nanosheet: A molecular dynamic simulation | seyede leila Razavi Khoosfi | Journal of Molecular Graphics and Modelling | 2021 |
| 43 | Design of a new drug delivery platform based on surface functionalization 2D covalent organic frameworks | afsaneh ghahari | Journal of the Taiwan Institute of Chemical Engineers | 2021 |
| 44 | Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles | _ | Scientific Reports | 2021 |
| 45 | Design of new drug delivery platform based on surface functionalization of black phosphorus nanosheet with a smart polymer for enhancing the efficiency of doxorubicin in the treatment of cancer | _ | Journal of Biomedical Materials Research Part A | 2021 |
| 46 | Conjugation of a smart polymer to doxorubicin through a pH-responsive bond for targeted drug delivery and improving drug loading on graphene oxide† | َAli Bina | RSC Advances | 2021 |
| 47 | Influence of high-electronegativity atoms on the 7 Be decay rate | Mohammad Mehdi Firoozabadi | Physical Review C | 2020 |
| 48 | Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes | _ | Journal of Molecular Modeling | 2019 |
| 49 | The effects of electrolyte on the capacitive behavior of nanostructured molybdenum oxides | Hossein Farsi,Shokufeh Moghiminia,Andrew Riley,Zhihai Li | JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY | 2019 |
| 50 | Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier | Ali Arab,Najme Dastani, | Adsorption | 2019 |
| 51 | Understanding the role of hydrogen bonds in destruction of DNA by screening interactions of Flutamide anticancer drug with nucleotides bases: DFT perspective, MD simulation and free energy calculation | , | Adsorption | 2019 |
| 52 | Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug | ,, | Adsorption | 2019 |
| 53 | Carbon and boron nanotubes as a template material for adsorption of 6-Thioguanine chemotherapeutic: a molecular dynamics and density functional approach | _ | Journal of Biomolecular Structure and Dynamics | 2019 |
| 54 | Predicting doxorubicin drug delivery by singlewalled carbon nanotube through cell membrane in the absence and presence of nicotine molecules: a molecular dynamics simulation study | _ | Journal of Biomolecular Structure and Dynamics | 2019 |
| 55 | Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet | _ | Journal of Biomolecular Structure and Dynamics | 2019 |
| 56 | A density functional theory-based analysis of the structural, topological and electronic properties of Gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube | , | Journal of Biomolecular Structure and Dynamics | 2019 |
| 57 | Enhance the efficiency of 5-fluorouracil targeted delivery by using a prodrug approach as a novel strategy for prolonged circulation time and improved permeation | _ | International Journal of Pharmaceutics | 2019 |
| 58 | Loading and release of anticancer drug from phosphorene as a template material with high efficient carrier: From vacuum to cell membrane | _ | Journal of Molecular Liquids | 2019 |
| 59 | Assessment of dynamical properties of mercaptopurine on the peptide-based metal–organic framework in response to experience of external electrical fields: a molecular dynamics simulation | _ | Journal of Molecular Modeling | 2019 |
| 60 | Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs | Mahnaz Shahabi | MOLECULAR SIMULATION | 2019 |