Ahmad Al-Khdhairawi

Conducting the RBD of SARS-CoV-2 Omicron Variant with Phytoconstituents from Euphorbia dendroides to Repudiate the Binding of Spike Glycoprotein Using Computational Molecular Search and Simulation Approach

Khaled S. Allemailem, Eslam A. Mohamed, K. Allemailem, 2022, Molecules.

Targeting Natural Plant Metabolites for Hunting SARS-CoV-2 Omicron BA.1 Variant Inhibitors: Extraction, Molecular Docking, Molecular Dynamics, and Physicochemical Properties Study

Khaled S. Allemailem, K. Allemailem, Faris A Alrumaihi, 2022, Current issues in molecular biology.

In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing

M. Zaki, H. Hassan, S. Abdelwahab, 2023, Journal of Molecular Modeling.

Collagen-Derived Cryptides: Machine-Learning Prediction and Molecular Dynamic Interaction Against Klebsiella pneumoniae Biofilm Synthesis Precursor

Su Datt Lam, R. Akbar, Fareed Sairi, 2022, Malaysian Applied Biology.

Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database

Su Datt Lam, R. Akbar, S. Chieng, 2022, Comput. Biol. Chem..

Elucidating novel antibacterial compounds from the NPASS database against the FimH lectin domain for the treatment of urinary tract infections: an in-silico study

Rafid A. Abdulkareem, Ahmad Al-Khdhairawi, Amaal Mohammed Salih Nasr, 2022, Journal of biomolecular structure & dynamics.

Unraveling effective extracellular signal-regulated kinase 2 inhibitors: a de novo drug design strategy enhanced by in-depth in silico analyses.

H. Hassan, S. Abdelwahab, Islam M Abdel-Rahman, 2023, Journal of biomolecular structure & dynamics.

Exploring the therapeutic potential of galidesivir analogs against Zaire ebolavirus protein 24 (V24): database screening, molecular docking, drug-relevant property evaluation and molecular dynamics simulations.

H. Hassan, S. Abdelwahab, A. El-Sheikh, 2023, Journal of biomolecular structure & dynamics.