Papers in Journals
- 81. _,Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet,Journal of Biomolecular Structure and Dynamics,pp. 0-0,2019,ISI،JCR،Scopus.
- 82. _,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,pp. 0-0,2019,ISI،JCR،Scopus.
- 83. _,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,pp. 0-0,2019,ISI،JCR،Scopus.
- 84. ,,,Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug,Adsorption,pp. 1-15,2019,JCR،Scopus.
- 85. ,,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,pp. 0-0,2019,JCR،Scopus.
- 86. Ali Arab,Najme Dastani,,Adsorption of Ampyra anticancer drug on the graphene and functionalized graphene as template materials with high efficient carrier,Adsorption,Vol. 1,No. 26,pp. 879-893,2019,JCR،Scopus.
- 87. Hossein Farsi,Shokufeh Moghiminia,Andrew Riley,Zhihai Li,The effects of electrolyte on the capacitive behavior of nanostructured molybdenum oxides,JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,Vol. 12,No. 94,pp. 3800-3805,2019,ISI،JCR،Scopus.
- 88. _,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,Vol. 159,No. 25,pp. 0-0,2019,JCR،Scopus.
- 89. _,A 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 Spectroscopy,Vol. 188,pp. 647-658,2018,JCR،Scopus.
- 90. _,Boosting BeONT Reactivity with HCN by Calcium and Magnesium Doping A DFT Investigation of Electronic Structure AIM NMR NQR and NBO Analysis,Journal of Cluster Science,Vol. 29,pp. 101-110,2018,JCR،Scopus.
- 91. _,Density 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 Liquids,Vol. 255,pp. 269-278,2018,JCR،Scopus.
- 92. _,Assessment 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 Dynamics,pp. 1-38,2018,ISI،JCR،Scopus.
- 93. Kamel Maedeh,Morsali Ali,Assessment 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 MD,Applied Surface Science,Vol. 434,pp. 492-503,2018,JCR،Scopus.
- 94. Khorram Rabeeh,Morsali Ali,The computational study of the -Fe2O3 nanoparticle as Carmustine drug delivery system DFT approach,Journal of Biomolecular Structure and Dynamics,Vol. 2,No. 37,pp. 454-464,2018,ISI،JCR،Scopus.
- 95. Mortazavifar Azam,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,Journal of Cluster Science,Vol. 29,No. 1,pp. 93-99,2018,JCR،Scopus.
- 96. _,Comprehensive theoretical prediction of the dynamics and stability properties of Tegafur pharmaceutical agent on the Graphene based nanostructures in aqueous environment,Applied Surface Science,Vol. 455,pp. 32-36,2018,JCR،Scopus.
- 97. _,Covalent 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 Physics,Vol. 51,pp. 345401-,2018,JCR،Scopus.
- 98. _,Assessment of solvent effects on the inclusion behavior of pyrazinamide drug into cyclic peptide based nanotubes as novel drug delivery vehicles,Journal of Molecular Liquids,Vol. 268,pp. 326-334,2018,JCR،Scopus.
- 99. Bakhtiari Akbar,Moradnia Heidar,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,Vol. 10,No. 37,pp. 2477-2486,2018,ISI،JCR،Scopus.
- 100. Khorram Rabeeh,Analysis of the structures energetics and vibrational frequencies for the hydrogen-bonded interaction of nucleic acid bases with Carmustine pharmaceutical agent a detailed computational approach,Structural Chemistry,Vol. 29,pp. 1165-1174,2018,JCR،Scopus.
Showing 81-100 of 178 items.