In silico molecular docking analysis of the human Argonaute 2 PAZ domain reveals insights into RNA interference. - Mahmoud Kandeel; Yukio Kitade (J. Comput. Aided Mol. Des., 2013)

Evolution of camel CYP2E1 and its associated power of binding toxic industrial chemicals and drugs. - Mahmoud Kandeel; Abdullah Altaher; Yukio Kitade; Magdi Abdelaziz; Mohamed Alnazawi; Kamal Elshazli (Comput. Biol. Chem., 2016)

Molecular dynamics of Middle East Respiratory Syndrome Coronavirus (MERS CoV) fusion heptad repeat trimers. - Mahmoud Kandeel; Abdullah Altaher; Huifang Li; Udo Schwingenschlögl; Mohamed Alnazawi (Comput. Biol. Chem., 2018)

Omicron variant receptor-binding domain phylogenetics and molecular dynamics. - Mahmoud Kandeel; Wael El-Deeb (Comput. Biol. Medicine, 2022)

Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)- 2-naphthol (H2AZD). - Hany M. Abd El-Lateef; Mai M. Khalaf; Mahmoud Kandeel; Amer A. Amer; Antar A. Abdelhamid; Aly Abdou (Comput. Biol. Chem., 2023)