Emmanuel Oluwarotimi

Purdue University West Lafayette — United States

Computer Science · Physical Sciences

5h-index86citations11works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(5), Phytochemicals and Antioxidant Activities(2), Endoplasmic Reticulum Stress and Disease(2), Protein Tyrosine Phosphatases(2), Toxin Mechanisms and Immunotoxins(2)

Publications11 total

Abstract 2714 Biochemical and Cryo-EM Structural Studies of GTP Cyclohydrolase I from Candida auris: A Potential New Target for Antifungal Therapy
Journal of Biological Chemistry·2025Open Access
IUSM-Purdue TREAT-AD Center Target Enabling Component PTPN6 (SHP1) Catalytic Domain: Protein Expression, Purification and Crystallization
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
IUSM-Purdue TREAT-AD Center Target Enabling Component PTPN6 (SHP1) Catalytic Domain: Protein Expression, Purification and Crystallization
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Structural Insights into Phospholipase Ce
Journal of Pharmacology and Experimental Therapeutics·2023Open Access
Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling
Frontiers in Chemistry·2022· 9 citedOpen Access
Discovery of Promising Inhibitors for SARS-CoV-2 Therapeutic Targets: A Quantum Mechanics and Molecular Modeling study
Research Square (Research Square)·2022Open Access
Computer-Aided Identification of Bioactive compounds of Azadirachta indica (Neem) with Potential activity against SARS-CoV-2 main protease
2021· 7 citedOpen Access
A Multi-target Approach for the Discovery of Anti Breast Cancer Agents from Plants Secondary Metabolites
Letters in Drug Design & Discovery·2021· 6 cited
Machine Learning-Based Virtual Screening Strategy RevealsSome Natural Compounds as Potential PAK4 Inhibitors in Triple Negative Breast Cancer
Current Proteomics·2020· 12 cited
Fatty acid composition and antioxidant effect of coconut oil in Drosophila melanogaster
Comparative Clinical Pathology·2020· 2 cited
Insight into glycogen synthase kinase-3β inhibitory activity of phyto-constituents from Melissa officinalis: in silico studies
In Silico Pharmacology·2020· 50 citedOpen Access

Frequent Co-authors

Opeyemi Iwaloye(3), Olusola Olalekan Elekofehinti(3), Andrew D. Mesecar(3), Toyin Mary Fadipe(2), Babatomiwa Kikiowo(2), Toheeb A. Balogun(2), Onyeka S. Chukwudozie(2), Uchechukwu Chibuzo Ogbodo(2), Idris O. Junaid(2), Olugbodi A. Sunday(2), Oluwasegun M. Ige(2), Abdullahi Tunde Aborode(2), Abiola D. Akintayo(2), Isaac O. Oluwafemi(2), Prosper Chuckwuemaka(2), Damilola A. Omoboyowa(2), Gaber El‐Saber Batiha(2), Abayomi Emmanuel Adegboyega(2), Kratika Singhal(2), Babatom iwa Kikiowo(1)