Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Kamal Mohammadifard"'
Autor:
Maedeh Kamel, Kamal Mohammadifard
Publikováno v:
Chemical Review and Letters, Vol 4, Iss 1, Pp 54-65 (2021)
< p>In this work, the interaction between Flutamide (FLU) anticancer drug with nucleobases such as cytosine, thymine, uracil, and adenine was studied by density functional theory (DFT) methods from a thermodynamic point of view. The Gibbs free energy
Externí odkaz:
https://doaj.org/article/c6bcbb902e19442a8d5f219cd08c29cd
Publikováno v:
Chemical Review and Letters, Vol 3, Iss 1, Pp 23-37 (2020)
In this study, it is attempted to scrutinize the noncovalent interaction and two mechanisms of covalent between Flutamide anti-cancer drug (FLU) and functionalized carbon nanotubes (f-CNT) employing density functional theory (DFT) calculations regard
Externí odkaz:
https://doaj.org/article/340dff58aeb04e51b86e87cb029866da
Autor:
Maedeh Kamel, Marziyeh Mohammadi, Kamal Mohammadifard, Evan Abdulkareem Mahmood, Mohammad Reza Poor Heravi, Abbas Heshmati J.M., Zinatossadat Hossaini
Publikováno v:
Vacuum. 207:111565
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::144ad819facbfcdaaa3b7738035a6f5a
https://doi.org/10.1016/j.vacuum.2022.111565
https://doi.org/10.1016/j.vacuum.2022.111565
Publikováno v:
Adsorption. 26:491-508
In the present work, we perform comprehensive theoretical calculations in order to examine interaction between Flutamide (FLU) anticancer drug and the nucleobases in the water and gaseous phases. The energetic, geometric and topological properties of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e71b8d02cda341456bff293b92cf9e9
https://doi.org/10.1007/s10450-019-00179-2
https://doi.org/10.1007/s10450-019-00179-2
Publikováno v:
Adsorption. 26:925-939
In this work, we perform density functional theory studies to comprehend the structure and energetics of the interaction of γ-Fe2O3 nanoparticles with Flutamide (FLU) anticancer drug. Quantum mechanics calculations by two methods including B3LYP/6-3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b93661f668a5f2ff66cf836357a93a2
https://doi.org/10.1007/s10450-019-00056-y
https://doi.org/10.1007/s10450-019-00056-y
Publikováno v:
Amino acids. 52(10)
Graphene-amino acid interaction is gaining significance mainly based on its possible biomedicine applications. The density functional theory (DFT) calculation and molecular dynamics simulation (MD) are applied to obtain a comprehensive understanding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a72af594f30193da967c951508644d5
https://pubmed.ncbi.nlm.nih.gov/33098474
https://pubmed.ncbi.nlm.nih.gov/33098474
Autor:
Yan Cao, Kamal Mohammadifard, Abbas Heshmati J. M, Mohammad Reza Poor Heravi, Abdol Ghaffar Ebadi, Maedeh Kamel
Publikováno v:
Journal of Molecular Liquids. 343:117487
The adsorption mechanism of Flutamide (FLU) anticancer drug on the surface of two-dimensional (2D) drug-delivery materials is studied in the gas phase and water media. In this study, we carried out density functional theory (DFT) calculation to surve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2df46b9f96c9d439f3df633b0a9c0941
https://doi.org/10.1016/j.molliq.2021.117487
https://doi.org/10.1016/j.molliq.2021.117487