۲۱ | Strategy to improve Cu-BTC metal-organic frameworks performance in removal of Rhodamine B: MD and WT-MtD simulations assessment | seyede leila Razavi Khoosfi | Npj clean water | 2022 |
۲۲ | Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters | afsaneh ghahari | Npj clean water | 2022 |
۲۳ | Cation-pi interaction: A strategy for enhancing the performance of graphene-based drug delivery systems | ameneh zaboli arbab din mohamad,Faezeh Fallahi | Inorganic Chemistry Communications | 2022 |
۲۴ | Interactions of boron nitride nanosheet with amino acids of diferential polarity | fatemeh najafi | Scientific Reports | 2022 |
۲۵ | Probing the adsorption and release mechanisms of cytarabine anticancer drug on/from dopamine functionalized graphene oxide as a highly efficient drug delivery system | فرزانه فرزاد,نفیسه رحمانی مقدم,حیدر رئیسی,مریم زابلی | Journal of Molecular Liquids | 2020 |
۲۶ | Probing the adsorption and release mechanisms of cytarabine anticancer drug on/from dopamine functionalized graphene oxide as a highly efficient drug delivery system | فرزانه فرزاد,مریم زابلی,نفیسه رحمانی مقدم,حیدر رئیسی | Journal of Molecular Liquids | 2020 |
۲۷ | Molecular Insights into the Loading and Dynamics of Anticancer Drugs on Silicene and Folic acidconjugated Silicene nanosheets: DFT calculation and MD simulation | حیدر رئیسی,سیده لیلا رضوی خوسفی,حسن هاشم زاده,فرزانه فرزاد | Journal of Biomolecular Structure and Dynamics | 2020 |
۲۸ | Design of New Materials Based on Functionalization of Cu-BTC for Adsorption and Separation of CH4 and CO2: GCMC and MD Simulations Study | حیدر رئیسی,حسن هاشم زاده,فرزانه فرزاد | Russian Journal of Physical Chemistry A | 2019 |
۲۹ | Molecular dynamics simulation study of Glycine tip-functionalisation of single-walled carbon nanotubes as emerging nanovectors for the delivery of anticancer drugs | فرزانه فرزاد,زهرا قدری بورنگ,حیدر رئیسی,مهناز شهابی چشمه موسی | MOLECULAR SIMULATION | 2019 |
۳۰ | Development of the poly(L-histidine) grafted carbon nanotube as a possible smart drug delivery vehicle | _ | Computers in Biology and Medicine | 2022 |
۳۱ | Surface functionalization of graphene nanosheet with poly (l‑histidine) and its application in drug delivery: covalent vs non‑covalent approaches | seyede leila Razavi Khoosfi | Scientific Reports | 2022 |
۳۲ | 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 |
۳۳ | 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 |
۳۴ | 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 |
۳۵ | Surface functionalization of boron nitride nanosheet with folic acid: Toward an enhancement in Doxorubicin anticancer drug loading performance | َAli Bina | Journal of Molecular Graphics and Modelling | 2021 |
۳۶ | 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 |
۳۷ | Probing the effect of polyethene glycol on the adsorption mechanisms of Gem on the hexagonal boron nitride as a highly efficient polymerbased drug delivery system: DFT, classical MD and Well-tempered Metadynamics simulations | _ | Journal of Molecular Graphics and Modelling | 2020 |
۳۸ | 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 |
۳۹ | 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 |
۴۰ | 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 |