| ۸۱ | 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 | مقاله در نشریه |
| ۸۲ | 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 | مقاله در نشریه |
| ۸۳ | 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 | مقاله در نشریه |
| ۸۴ | 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 | مقاله در نشریه |
| ۸۵ | Assessment of adsorption behavior of 5-fluorouracil and pyrazinamide on carbon nitride and folic acid-conjugated carbon nitride nanosheets for targeting drug delivery | آمنه زابلی ارباب دین محمد,حیدر رئیسی,حسن هاشم زاده,فرزانه فرزاد | Journal of Molecular Liquids | 2020 | مقاله در نشریه |
| ۸۶ | Influence of high-electronegativity atoms on the 7 Be decay rate | Mohammad Mehdi Firoozabadi | Physical Review C | 2020 | مقاله در نشریه |
| ۸۷ | 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 | مقاله در نشریه |
| ۸۸ | 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 | مقاله در نشریه |
| ۸۹ | 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 | مقاله در نشریه |
| ۹۰ | 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 | مقاله در نشریه |
| ۹۱ | 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 | مقاله در نشریه |
| ۹۲ | Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles | Mortazavifar Azam | Journal of Biomolecular Structure and Dynamics | 2019 | مقاله در نشریه |
| ۹۳ | 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 | مقاله در نشریه |
| ۹۴ | Molecular Insight into Adsorption Affinities of Carmustine Drug on Boron and Nitrogen Doped Functionalized Single-walled Carbon Nanotubes Using Density Functional Theory Including Dispersion Correction Calculations and Molecular Dynamics Simulation | خرم پور | Journal of Biomolecular Structure and Dynamics | 2019 | مقاله در نشریه |
| ۹۵ | 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 | مقاله در نشریه |
| ۹۶ | Assessment of dynamical properties of mercaptopurine on the peptide-based metal–organic framework in response to experience of external electrical fields: a molecular dynamics simulation | _ | Journal of Molecular Modeling | 2019 | مقاله در نشریه |
| ۹۷ | Loading and release of anticancer drug from phosphorene as a template material with high efficient carrier: From vacuum to cell membrane | _ | Journal of Molecular Liquids | 2019 | مقاله در نشریه |
| ۹۸ | 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 | مقاله در نشریه |
| ۹۹ | A density functional theory-based analysis of the structural, topological and electronic properties of Gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube | , | Journal of Biomolecular Structure and Dynamics | 2019 | مقاله در نشریه |
| ۱۰۰ | 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 | مقاله در نشریه |
