| ۱۰۱ | 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 |
| ۱۰۲ | 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 |
| ۱۰۳ | 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 |
| ۱۰۴ | 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 |
| ۱۰۵ | 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 |
| ۱۰۶ | Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier | Ali Arab,Najme Dastani, | Adsorption | 2019 |
| ۱۰۷ | 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 |
| ۱۰۸ | 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 |
| ۱۰۹ | 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 |
| ۱۱۰ | The scrutinised DFT and MD studies on the adsorption of D-penicillamine drug on γ-Fe2O3 nanoparticle as a highly efficient carrier | حیدر رئیسی,رابعه خرم پور,حسین شکی,علی مرسلی,حسن هاشم زاده | MOLECULAR SIMULATION | 2020 |
| ۱۱۱ | DFT computational study towards investigating Cladribine anticancer drug adsorption on the graphene and functionalized graphene | حیدر رئیسی,علی عرب,نجمه داستانی | Structural Chemistry | 2020 |
| ۱۱۲ | The performance of the single-walled carbon nanotube covalently modified with polyethylene glycol to delivery of Gemcitabine anticancer drug in the aqueous environment | حیدر رئیسی,حیدر مرادنیا,مهناز شهابی چشمه موسی | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۱۳ | 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 |
| ۱۱۴ | Understanding dual delivery of doxorubicin and paclitaxel with boron nitride and phosphorene nanosheets as highly efficient drug delivery systems | حیدر رئیسی,حسن هاشم زاده | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۱۵ | Evaluation the synergistic antitumor effect of methotrexate–camptothecin codelivery prodrug from selfassembly process to acid-catalyzed both drugs release: A comprehensive theoretical study | حیدر رئیسی,مجید پاکدل,سیده طاهره حسینی | JOURNAL OF COMPUTATIONAL CHEMISTRY | 2020 |
| ۱۱۶ | The transport of Idarubicin therapeutic agent using a novel graphene sheet as a drug delivery platform through a biomembrane | حیدر رئیسی,مهناز شهابی چشمه موسی | Journal of Molecular Liquids | 2020 |
| ۱۱۷ | Two dimensional porous frameworks of graphyne family as therapeutic delivery vehicles for Idarubicin biomolecule in silico: Density functional theory and molecular dynamics simulation | حیدر رئیسی,مهناز شهابی چشمه موسی | Journal of Molecular Liquids | 2020 |
| ۱۱۸ | Investigation of nanotubes as the smart carriers for targeted delivery of mercaptopurine anticancer drug | حیدر رئیسی,مریم زابلی,مهدیه زابلی | Journal of Biomolecular Structure and Dynamics | 2020 |
| ۱۱۹ | Predicting the efficiency of polyethylene glycol-functionalised graphene in delivery of temozolomide anticancer drug and investigating the effect of pH on the drug release process: DFT and free energy calculations | حیدر رئیسی,علی صابری نصب,حسن هاشم زاده | MOLECULAR SIMULATION | 2020 |
| ۱۲۰ | DFT study of Ni-doped graphene nanosheet as a drug carrier for multiple sclerosis drugs | حیدر رئیسی,نجمه داستانی,علی عرب | Computational and Theoretical Chemistry | 2020 |