Al-Shimaa S M Rady

5PUBLICATIONS
10CO-AUTHORS
Biologically active moleculesNanoelectronicsNanomedicineCondensed matter modelling and density functional theoryNanomaterials
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Publications (5)

|Sep 12, 2025
MD-enhanced DFT investigation of β-cyclodextrin as drug delivery system for Ampyra drug.

Al-Shimaa S M Rady, Peter A Sidhom, Lamiaa A Mohamed

|Nov 22, 2024
A DFT investigation on the potential of beryllium oxide (Be12O12) as a nanocarrier for nucleobases.

Mahmoud A A Ibrahim, Maggie N S Hanna, Al-Shimaa S M Rady

|Jan 23, 2023
Adsorption of Molnupiravir anti-COVID-19 drug over B12N12 and Al12N12 nanocarriers: a DFT study.

Mahmoud A A Ibrahim, Al-Shimaa S M Rady, Lamiaa A Mohamed

|Nov 11, 2022
Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study.

Mahmoud A A Ibrahim, Mohammed N I Shehata, Al-Shimaa S M Rady

|Oct 27, 2022
Adsorption of Chlormethine Anti-Cancer Drug on Pure and Aluminum-Doped Boron Nitride Nanocarriers: A Comparative DFT Study.

Mahmoud A A Ibrahim, Al-Shimaa S M Rady, Asmaa M A Mandarawe

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