| ۶۱ | 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 |
| ۶۲ | Proposing two-dimensional covalent organic frameworks material for the capture of phenol molecules from wastewaters | afsaneh ghahari | Npj clean water | 2022 |
| ۶۳ | A new insight into the transfer and delivery of anti- SARS-CoV-2 drug Carmofur with the assistance of graphene oxide quantum dot as a highly efficient nanovector toward COVID-19 by molecular dynamics simulation† | _ | RSC Advances | 2022 |
| ۶۴ | On the role of alkanethiol Au complex in the formation of gold deposits; an in-silico approach | Ahmad Haghi | Chemical Geology | 2022 |
| ۶۵ | Assessment of two-dimensional materials on the biological membrane permeability of Epirubicin anti-cancer drug | ameneh zaboli arbab din mohamad,roghayyeh yaghoubi | Applied Surface Science | 2022 |
| ۶۶ | Molecular insight into the role of polyethylene glycol and cholesterol on the performance of graphene-based nanomaterials in Blood-brain barrier delivery | Hassan Hashemzadeh, | Journal of Molecular Liquids | 2021 |
| ۶۷ | Understanding Co-Loading of Doxorubicin and Camptothecin on Graphene and Folic acidconjugated Graphene for Targeting Drug Delivery: Classical MD Simulation and DFT Calculation | Hassan Hashemzadeh, | Journal of Biomolecular Structure and Dynamics | 2019 |
| ۶۸ | Understanding the effect of vitamin B6 and PEG functionalization on improving the performance of carbon nanotubes in temozolomide anticancer drug transportation | Hassan Hashemzadeh, | Journal of Physics D: Applied Physics | 2019 |
| ۶۹ | Modeling the interaction between anti-cancer drug penicillamine and pristine and functionalized carbon nanotubes for medical applications: density functional theory investigation and a molecular dynamics simulation | Hassan Hashemzadeh, | Journal of Biomolecular Structure and Dynamics | 2019 |
| ۷۰ | THEORETICAL INVESTIGATION OF SUBSTITUTION EFFECT ON THE PROTON TRANSFER MECHANISM IN 3-MERCAPTO-PROPENETHIAL | Hossein Farsi | Journal of Theoretical and Computational Chemistry | 2013 |
| ۷۱ | CONFORMATIONAL PROPERTIES AND INTRAMOLECULAR HYDROGEN BONDING OF 3-AMINO-PROPENESELENAL: AN AB INITIO AND DENSITY FUNCTIONAL THEORY STUDIES | _ | Journal of Theoretical and Computational Chemistry | 2012 |
| ۷۲ | New insights into Hexakis macrocycles as a novel nano-carrier for highly potent anti-cancer treatment: A new challenge in drug delivery | حیدر رئیسی,سمانه پاسبان موشکی | Colloids and Surfaces B: Biointerfaces | 2021 |
| ۷۳ | Investigation of the Pristine and Functionalized Carbon Nanotubes as a Delivery System for the Anticancer Drug Dacarbazine: Drug Encapsulation | حیدر رئیسی,حلیمه میرسالاری,افسانه مالکی,عظیم سلطان ابادی | Journal of Pharmaceutical Sciences | 2021 |
| ۷۴ | 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 |
| ۷۵ | 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 |
| ۷۶ | 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 |
| ۷۷ | 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 |
| ۷۸ | 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 |
| ۷۹ | DFT computational study towards investigating Cladribine anticancer drug adsorption on the graphene and functionalized graphene | حیدر رئیسی,علی عرب,نجمه داستانی | Structural Chemistry | 2020 |
| ۸۰ | 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 |
