g_mmpbsa analysis of the protein-ligand complex of the S1-, S20, S39-, and S56- protein-ligand complex. حسب Kassim Folorunsho Adebambo (22806479)

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Steps followed during Data Mining protocol of the Chembl Database using Python tool. حسب Kassim Folorunsho Adebambo (22806479)

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Possible drug molecules that have been investigated for the inhibition of pfGSK3β by Masch and co-workers [9]. حسب Kassim Folorunsho Adebambo (22806479)

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Snapshot of the Molecular Dynamics simulations at 10 ns. حسب Kassim Folorunsho Adebambo (22806479)

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Snapshot of the molecular dynamics simulations at 90 ns. حسب Kassim Folorunsho Adebambo (22806479)

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Protein Ligand Interactions of the four best-ranked molecules obtained during the molecular docking investigation, the Ligand Interaction diagrams are shown in Fig 15). حسب Kassim Folorunsho Adebambo (22806479)

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RMSD results of the ligands during the molecular dynamics simulation study. حسب Kassim Folorunsho Adebambo (22806479)

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53 molecules generated from the data mining of the CHEMBL database using the generated coding. حسب Kassim Folorunsho Adebambo (22806479)

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Snapshot of the Molecular Dynamics Simulations at 70 ns. حسب Kassim Folorunsho Adebambo (22806479)

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In silico Toxicity Prediction, PA represent the Prediction accuracy, and AS represents the average similarity, toxicity profile (). حسب Kassim Folorunsho Adebambo (22806479)

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Snapshot of the Molecular Dynamics Simulations at 100 ns. حسب Kassim Folorunsho Adebambo (22806479)

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Steps involved in docking [28]. حسب Kassim Folorunsho Adebambo (22806479)

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Interaction of the Co-crystallised Ligand in the binding pocket of 3ZDI. حسب Kassim Folorunsho Adebambo (22806479)

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Ligand Interactions diagram of the four best molecules obtained during the molecular docking, the interactions details are shown in table 2. حسب Kassim Folorunsho Adebambo (22806479)

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Lock and key theory [34]. حسب Kassim Folorunsho Adebambo (22806479)

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Toxicity profile of the molecules shown in Figure 2 and the top three molecules identified through data mining of the CHEMBL database. حسب Kassim Folorunsho Adebambo (22806479)

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RMSF results of the ligands within the receptor during the simulation. حسب Kassim Folorunsho Adebambo (22806479)

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CLDF dataset derived from von Rosenberg's <b>“</b>De Mentawei-Eilanden en Hunne Bewoners<b>”</b> from 1853 حسب Gede Primahadi Wijaya Rajeg (14592023)

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Empirical percentage points of the statistic for selected values of the sample size <i>n</i> and the parameter <i>θ</i> based on 25000 simulations and with different significance l... حسب Héctor Francisco Coronel-Brizio (13014872)

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Distribution of lengths of trends and summary statistics for all analyzed markets. حسب Héctor Francisco Coronel-Brizio (13014872)

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