Molecular dynamics study-based mechanism of nefiracetam-induced NMDA receptor potentiation. - Olaposi I. Omotuyi; Hiroshi Ueda (Comput. Biol. Chem., 2015)

Computational and drug target analysis of functional single nucleotide polymorphisms associated with Haemoglobin Subunit Beta (HBB) gene. - Opeyemi S. Soremekun; Chisom Ezenwa; Itunuoluwa Isewon; Mahmoud E. S. Soliman; Olaposi I. Omotuyi; Oyekanmi Nashiru; Segun A. Fatumo (Comput. Biol. Medicine, 2020)

Atomistic simulation reveals structural mechanisms underlying D614G spike glycoprotein-enhanced fitness in SARS-COV -2. - Olaposi I. Omotuyi; Oyekanmi Nash; O. Basiru Ajiboye; C. Gift Iwegbulam; E. Babatunji Oyinloye; O. Abimbola Oyedeji; Z. Abimbola Kashim; Kunle Okaiyeto (J. Comput. Chem., 2020)

SARS-CoV-2 Omicron spike glycoprotein receptor binding domain exhibits super-binder ability with ACE2 but not convalescent monoclonal antibody. - Olaposi I. Omotuyi; Olujide O. Olubiyi; Oyekanmi Nash; Elizabeth Afolabi; E. Babatunji Oyinloye; Segun A. Fatumo; Mbang Femi-Oyewo; Suleiman Bogoro (Comput. Biol. Medicine, 2022)

QSAR-based virtual screening of traditional Chinese medicine for the identification of mitotic kinesin Eg5 inhibitors. - Damilola S. Bodun; Damilola A. Omoboyowa; Olaposi I. Omotuyi; Ezekiel A. Olugbogi; Toheeb A. Balogun; Chiamaka J. Ezeh; Emmanuel S. Omirin (Comput. Biol. Chem., 2023)