| 61 | 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 |
| 62 | 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 |
| 63 | 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 |
| 64 | 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 |
| 65 | 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 |
| 66 | 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 |
| 67 | Stabilization of d-lactate dehydrogenase diagnostic enzyme via immobilization on pristine and carboxyl-functionalized carbon nanotubes, a combined experimental and molecular dynamics simulation study | Torkzadeh-Mahani Masoud,Zaboli Mahdiye | ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS | 2019 |
| 68 | 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 |
| 69 | 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 |
| 70 | Quantum chemical studies on molecular conformations, energetic and intramolecular hydrogen bonding in ground and electronic excited state of (thioxosilyl) ethyleneselenol | Hossein Farsi | Journal of Sulfur Chemistry | 2014 |
| 71 | Theoretical Description of Substituent Effects in 2,4-Pentanedione: AIM, NBO, and NMR Study | ,, | Bulletin of the Chemical Society of Japan | 2012 |
