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Page 1
Rational Drug Design of Peptide-Based Therapies for Sickle Cell Disease.
Molecules. 2019 Dec 12;24(24):4551. doi: 10.3390/molecules24244551.
Molecules. 2019.
PMID: 31842406
Free PMC article.
Review.
Multiscale MD simulations of wild-type and sickle hemoglobin aggregation.
Olagunju MO, Loschwitz J, Olubiyi OO, Strodel B.
Olagunju MO, et al.
Proteins. 2022 Nov;90(11):1811-1824. doi: 10.1002/prot.26352. Epub 2022 May 18.
Proteins. 2022.
PMID: 35475513
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Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS.
Loschwitz J, Jäckering A, Keutmann M, Olagunju M, Olubiyi OO, Strodel B.
Loschwitz J, et al. Among authors: olagunju m.
Data Brief. 2021 Mar 15;35:106948. doi: 10.1016/j.dib.2021.106948. eCollection 2021 Apr.
Data Brief. 2021.
PMID: 33855133
Free PMC article.
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Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand Interaction.
Olubiyi OO, Olagunju MO, Obisesan AO.
Olubiyi OO, et al. Among authors: olagunju mo.
Curr Comput Aided Drug Des. 2017;13(1):39-47. doi: 10.2174/1573409912666160909092600.
Curr Comput Aided Drug Des. 2017.
PMID: 27632988
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High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2.
Olubiyi OO, Olagunju M, Keutmann M, Loschwitz J, Strodel B.
Olubiyi OO, et al. Among authors: olagunju m.
Molecules. 2020 Jul 13;25(14):3193. doi: 10.3390/molecules25143193.
Molecules. 2020.
PMID: 32668701
Free PMC article.
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Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay.
Loschwitz J, Jäckering A, Keutmann M, Olagunju M, Eberle RJ, Coronado MA, Olubiyi OO, Strodel B.
Loschwitz J, et al. Among authors: olagunju m.
Bioorg Chem. 2021 Jun;111:104862. doi: 10.1016/j.bioorg.2021.104862. Epub 2021 Mar 29.
Bioorg Chem. 2021.
PMID: 33862474
Free PMC article.
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Structural Basis of Antisickling Effects of Selected FDA Approved Drugs: A Drug Repurposing Study.
Olubiyi OO, Olagunju MO, Oni JO, Olubiyi AO.
Olubiyi OO, et al. Among authors: olagunju mo.
Curr Comput Aided Drug Des. 2018;14(2):106-116. doi: 10.2174/1573409914666180129163711.
Curr Comput Aided Drug Des. 2018.
PMID: 29380703
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