Kamal Mohammadifard

Theoretical insights into the intermolecular and mechanisms of covalent interaction of Flutamide drug with COOH and COCl functionalized carbon nanotubes: A DFT approach

Maedeh Kamel, Ali Morsali, ‪Heidar Raissi et al. · SHILAP Revista de lepidopterología · 2020 · 51 citations · Full text

Engineering, Molecule-based Material, Computational Chemistry +18

Theoretical elucidation of the amino acid interaction with graphene and functionalized graphene nanosheets: insights from DFT calculation and MD simulation

Maedeh Kamel, ‪Heidar Raissi, Hassan Hashemzadeh et al. · Amino Acids · 2020 · 39 citations

Graphene Nanomeshes, Amino Acid Interaction, Engineering +11

Comprehensive theoretical prediction of the stability and electronic properties of hydroxyurea and carmustine drugs on pristine and Chitosan-functionalized graphitic carbon nitride in vacuum and aqueous environment

Maedeh Kamel, Marziyeh Mohammadi, Kamal Mohammadifard et al. · Vacuum · 2022 · 31 citations

Chemical Engineering, Engineering, Carbon-based Material +7

Thermodynamic and reactivity descriptors Studies on the interaction of Flutamide anticancer drug with nucleobases: A computational view

Maedeh Kamel, Kamal Mohammadifard · SHILAP Revista de lepidopterología · 2021 · 25 citations · Full text

Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug

Maedeh Kamel, ‪Heidar Raissi, Ali Morsali et al. · Adsorption · 2019 · 21 citations

Nanoparticles, Nanomedicine, Chemical Engineering +10