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Fuqiang Liang, Yumeng Shi, Jiayi Shi & WeiWei Cao. (2023) Exploring the binding mechanism of pumpkin seed protein and apigenin: Spectroscopic analysis, molecular docking and molecular dynamics simulation. Food Hydrocolloids 137, pages 108318.
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Qilei Chen, Lin Zhu, Ka Man Yip, Yancheng Tang, Yi Liu, Tao Jiang, Jianye Zhang, Zhongzhen Zhao, Tao Yi & Hubiao Chen. (2021) A hybrid platform featuring nanomagnetic ligand fishing for discovering COX-2 selective inhibitors from aerial part of Saussurea laniceps Hand.-Mazz. Journal of Ethnopharmacology 271, pages 113849.
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Kehinde F. Omolabi, Emmanuel A. Iwuchukwu, Clement Agoni, Fisayo A. Olotu & Mahmoud E. S. Soliman. (2021) A probable means to an end: exploring P131 pharmacophoric scaffold to identify potential inhibitors of Cryptosporidium parvum inosine monophosphate dehydrogenase. Journal of Molecular Modeling 27:2.
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Kehinde F. Omolabi, Paul O. Odeniran, Fisayo A. Olotu & Mahmoud E. S. Soliman. (2021)
A Mechanistic Probe into the Dual Inhibition of
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Neha Chaudhary & Polamarasetty Aparoy. (2020) Application of per-residue energy decomposition to identify the set of amino acids critical for in silico prediction of COX-2 inhibitory activity. Heliyon 6:10, pages e04944.
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Pundarikaksha Das & Venkata Satish Kumar Mattaparthi. (2020) Computational Investigation on the p53–MDM2 Interaction Using the Potential of Mean Force Study. ACS Omega 5:15, pages 8449-8462.
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Ericsson Coy-Barrera. (2020) Discrimination of Naturally-Occurring 2-Arylbenzofurans as Cyclooxygenase-2 Inhibitors: Insights into the Binding Mode and Enzymatic Inhibitory Activity. Biomolecules 10:2, pages 176.
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Maryam Abdullahi, Fisayo A. Olotu & Mahmoud E. Soliman. (2018) Solving the riddle: Unraveling the mechanisms of blocking the binding of leukotoxin by therapeutic antagonists in periodontal diseases. Journal of Cellular Biochemistry 119:11, pages 9364-9379.
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Maryam Lawal, Fisayo A. Olotu & Mahmoud E.S. Soliman. (2018) Across the blood-brain barrier: Neurotherapeutic screening and characterization of naringenin as a novel CRMP-2 inhibitor in the treatment of Alzheimer's disease using bioinformatics and computational tools. Computers in Biology and Medicine 98, pages 168-177.
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