Amyloid β fibrils disruption by kolaviron: Molecular docking and extended molecular dynamics simulation studies. - Kayode Ezekiel Adewole; Gideon A. Gyebi; Ibrahim M. Ibrahim (Comput. Biol. Chem., 2021)

Structure-based virtual screening suggests inhibitors of 3-Chymotrypsin-Like Protease of SARS-CoV-2 from Vernonia amygdalina and Occinum gratissimum. - Gideon A. Gyebi; Abdo A. Elfiky; Oludare M. Ogunyemi; Ibrahim M. Ibrahim; Adegbenro P. Adegunloye; Joseph O. Adebayo; Charles O. Olaiya; Joshua O. Ocheje; Modupe M. Fabusiwa (Comput. Biol. Medicine, 2021)

Dual targeting of cytokine storm and viral replication in COVID-19 by plant-derived steroidal pregnanes: An in silico perspective. - Gideon A. Gyebi; Oludare M. Ogunyemi; Ibrahim M. Ibrahim; Saheed O. Afolabi; Joseph O. Adebayo (Comput. Biol. Medicine, 2021)

Multidimensional in silico strategy for identification of natural polyphenols-based SARS-CoV-2 main protease (Mpro) inhibitors to unveil a hope against COVID-19. - Sevki Adem; Volkan Eyupoglu; Ibrahim M. Ibrahim; Iqra Sarfraz; Azhar Rasul; Muhammad Ali; Abdo A. Elfiky (Comput. Biol. Medicine, 2022)

Interference of Chaga mushroom terpenoids with the attachment of SARS-CoV-2; in silico perspective. - Wael M. Elshemey; Abdo A. Elfiky; Ibrahim M. Ibrahim; Alaa M. Elgohary (Comput. Biol. Medicine, 2022)

Sizing of Microgrid System Including Multi-Functional Battery Storage and Considering Uncertainties. - Ibrahim M. Ibrahim; Almoataz Y. Abdelaziz; Hassan Haes Alhelou; Walid A. Omran (IEEE Access, 2023)

Simulation of gold nanoparticle movement through normal and cancer cell membranes. - Abdo A. Elfiky; Ibrahim M. Ibrahim; Ahmed M. Elghareib; Yousef S. Bashandy; Ahmed Samir; Mayar M. Hamdy; Rana T. Kamal; Fatma G. Amin; Yomna Elkaramany; Anan M. Rashad; Youssef S. Abdelaziz; Mohamed M. Fathey (Comput. Biol. Medicine, 2023)

In vitro and in silico evaluation of new thieno[2,3-d]pyrimidines as anti-cancer agents and apoptosis inducers targeting VEGFR-2. - Souad A. El-Metwally; Abdelrahman A. Abuelkhir; Hazem Elkady; Mohammed S. Taghour; Ibrahim M. Ibrahim; Dalal Z. Husein; Aisha A. Alsfouk; Ahlam Sultan; Ahmed Ismail; Samy Y. Elkhawaga; Eslam B. Elkaeed; Ahmed M. Metwaly; et al. (Comput. Biol. Chem., 2023)

Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers. - Ibrahim H. Eissa; Reda G. Yousef; Hazem Elkady; Eslam B. Elkaeed; Aisha A. Alsfouk; Dalal Z. Husein; Ibrahim M. Ibrahim; Mostafa A. Elhendawy; Murrell Godfrey; Ahmed M. Metwaly (Comput. Biol. Chem., 2023)

New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies. - Hazem Elkady; Abdelrahman A. Abuelkhir; Mahmoud Rashed; Mohammed S. Taghour; Mohammed A. Dahab; Hazem A. Mahdy; Alaa Elwan; Hanan A. Al-ghulikah; Eslam B. Elkaeed; Ibrahim M. Ibrahim; Dalal Z. Husein; Ahmed M. Metwaly; et al. (Comput. Biol. Chem., 2023)

Anti-proliferative 2,3-dihydro-1,3,4-thiadiazoles targeting VEGFR-2: Design, synthesis, in vitro, and in silico studies. - Hazem Elkady; Walid E. Elgammal; Hazem A. Mahdy; Susi Zara; Simone Carradori; Dalal Z. Husein; Aisha A. Alsfouk; Ibrahim M. Ibrahim; Eslam B. Elkaeed; Ahmed M. Metwaly; Ibrahim H. Eissa (Comput. Biol. Chem., 2024)