۱ | Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery | seyede leila Razavi Khoosfi | Scientific Reports | 2023 |
۲ | 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 |
۳ | 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 |
۴ | Understanding loading, diffusion and releasing of Doxorubicin and Paclitaxel dual delivery in graphene and graphene oxide carriers as highly efficient drug delivery systems | _ | Applied Surface Science | 2019 |
۵ | 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 |
۶ | 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 |
۷ | Theoretical study on -aminoacroleine Density functional theory atoms in molecules theory and natural bond orbitals studies | _ | Journal of Chemical Sciences | 2012 |
۸ | Theoretical study on - aminoacrolein Density functional theory atoma in molecules theory and natural bond orbitals studies | , | Journal of Chemical Sciences | 2012 |
۹ | Theoretical study of the effects of substitution solvation and structure on the interaction between nitriles and methanol | Hossein Farsi, | International Journal of Quantum Chemistry | 2011 |
۱۰ | Theoretical study of substituents effects on characteristics of resonance-assisted hydrogen bond in (Z)-(thionitrosomethylene)hydrazine and its derivatives in ground and electronic excited state | _ | Structural Chemistry | 2014 |
۱۱ | Theoretical study of solvent and co-solvent effects on the interaction of Flutamide anticancer drug with Carbon nanotube as a drug delivery system | Kamel Maedeh,Morsali Ali | Journal of Molecular Liquids | 2017 |
۱۲ | Theoretical Prediction of Adsorption Properties of Carmustine Drug on Various Sites of the Outer Surface of the Single-Walled Boron Nitride Nanotube and Investigation of Urea Effect on Drug Delivery by DFT and MD | Mortazavifar Azam | Journal of Cluster Science | 2018 |
۱۳ | THEORETICAL INVESTIGATION OF SUBSTITUTION EFFECT IN 3-MERCAPTO-PROPENETHIAL | Hossein Farsi | Journal of Theoretical and Computational Chemistry | 2013 |
۱۴ | 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 |
۱۵ | Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation | حیدر رئیسی,مهدیه کامل,حسن هاشم زاده,کمال محمدی فرد | Amino Acids | 2020 |
۱۶ | Theoretical Description of Substituent Effects in 2,4-Pentanedione: AIM, NBO, and NMR Study | ,, | Bulletin of the Chemical Society of Japan | 2012 |
۱۷ | Theoretical Description of Substituent E ects in 2 4-Pentanedione AIM NBO and NMR Study | shakhs Imampour Jalal,Karimi Mohammad | Bulletin of the Chemical Society of Japan | 2012 |
۱۸ | Theoretical calculations of intramolecular hydrogen bond of the 2-Amino-2 4 6-cycloheptatrien-1-one in the gas phase and solution Substituent effects and their positions | _ | Journal of Theoretical and Computational Chemistry | 2016 |
۱۹ | 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 |
۲۰ | The state of art in the prediction of efficiency and modeling of the processes of Benzene removal from water environment | ameneh zaboli arbab din mohamad,Hassan Hashemzadeh | Journal of Molecular Liquids | 2023 |