مقالات در نشریات

#عنوان مقالهنویسندگاننشریهتاریخ انتشار
 
۶۱Using molecular dynamics simulation to explore the binding of the three potent anticancer drugs sorafenib, streptozotocin, and sunitinib to functionalized carbon nanotubes_Journal of Molecular Modeling2019
۶۲A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit 67 urils Analysis of electronic structure_Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy2018
۶۳Boosting BeONT Reactivity with HCN by Calcium and Magnesium Doping A DFT Investigation of Electronic Structure AIM NMR NQR and NBO Analysis_Journal of Cluster Science2018
۶۴Density functional theory calculations and molecular dynamics simulations of the adsorption of ellipticine anticancer drug on graphene oxide surface in aqueous medium as well as under controlled pH conditions_Journal of Molecular Liquids2018
۶۵Assessment of the chitosan-functionalized graphene oxide as a carrier for loading Thioguanine an antitumor drug and effect of urea on adsorption process Combination of DFT computational and Molecular Dynamics Simulation Studies_Journal of Biomolecular Structure and Dynamics2018
۶۶Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle An alternative theoretical approach based on DFT and MDKamel Maedeh,Morsali AliApplied Surface Science2018
۶۷The computational study of the -Fe2O3 nanoparticle as Carmustine drug delivery system DFT approachKhorram Rabeeh,Morsali AliJournal of Biomolecular Structure and Dynamics2018
۶۸Theoretical 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 MDMortazavifar AzamJournal of Cluster Science2018
۶۹Comprehensive theoretical prediction of the dynamics and stability properties of Tegafur pharmaceutical agent on the Graphene based nanostructures in aqueous environment_Applied Surface Science2018
۷۰Covalent organic framework as smart and high efficient carrier for anticancer drug delivery a DFT calculations and molecular dynamics simulation study_Journal of Physics D: Applied Physics2018
۷۱Assessment of solvent effects on the inclusion behavior of pyrazinamide drug into cyclic peptide based nanotubes as novel drug delivery vehicles_Journal of Molecular Liquids2018
۷۲A density functional theory-based analysis of the structural topological and electronic properties of Gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotubeBakhtiari Akbar,Moradnia HeidarJournal of Biomolecular Structure and Dynamics2018
۷۳Analysis of the structures energetics and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent a detailed computational approachKhorram RabeehStructural Chemistry2018
۷۴DFT and MD investigations on the functionalized boron nitride nanotube as an effective drug delivery carrier for Carmustine anticancer drugAkbari Alireza,Mortazavifar AzamJournal of Molecular Liquids2018
۷۵Assessment of the chitosan-functionalized graphene oxide as a carrier for loading Thioguanine, an antitumor drug and effect of urea on adsorption process: Combination of DFT computational and Molecular Dynamics Simulation Studies_Journal of Biomolecular Structure and Dynamics2018
۷۶The computational study of the γ-Fe2O3 nanoparticle as Carmustine drug delivery system: DFT approach,Journal of Biomolecular Structure and Dynamics2018
۷۷Screening of different interactions in oxo-manganese porphyrin dimers containing axial N-donor ligands a theoretical studyMaasoumeh JafarpourRSC Advances2018
۷۸DFT Calculations and Molecular Dynamics Simulation Study on the Adsorption of 5-Fluorouracil Anticancer Drug on Graphene Oxide Nanosheet as a Drug Delivery Vehicle_Journal of Inorganic and Organometallic Polymers and Materials2017
۷۹The functionalization of carbon nanotubes to enhance the efficacy of the anticancer drug paclitaxel a molecular dynamics simulation study_Journal of Molecular Modeling2017
۸۰Solvent/co-solvent effects on the electronic properties and adsorption mechanism of anticancer drug Thioguanine on Graphene oxide surface as a nanocarrier Density functional theory investigation and a molecular dynamics_Applied Surface Science2017
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