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codon optimization » wolf optimization (Expand Search)
b dynamics » _ dynamics (Expand Search), web dynamics (Expand Search), 19 dynamics (Expand Search)
simulations » simulation (Expand Search)
codon optimization » wolf optimization (Expand Search)
b dynamics » _ dynamics (Expand Search), web dynamics (Expand Search), 19 dynamics (Expand Search)
simulations » simulation (Expand Search)
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Data_Sheet_1_Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer A...
Published 2020“…In the first approach, a molecular docking and filtering approach is used to rank compounds based on their docking scores and only a few top-ranked molecules are selected for further long (100-ns) molecular dynamics (MD) simulations and in vitro tests. While docking algorithms are promising in predicting binding poses, they can be less prone to precisely predict ranking of compounds leading to decrease in the success rate of in silico studies. …”
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Data_Sheet_3_Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer A...
Published 2020“…In the first approach, a molecular docking and filtering approach is used to rank compounds based on their docking scores and only a few top-ranked molecules are selected for further long (100-ns) molecular dynamics (MD) simulations and in vitro tests. While docking algorithms are promising in predicting binding poses, they can be less prone to precisely predict ranking of compounds leading to decrease in the success rate of in silico studies. …”
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Data_Sheet_2_Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer A...
Published 2020“…In the first approach, a molecular docking and filtering approach is used to rank compounds based on their docking scores and only a few top-ranked molecules are selected for further long (100-ns) molecular dynamics (MD) simulations and in vitro tests. While docking algorithms are promising in predicting binding poses, they can be less prone to precisely predict ranking of compounds leading to decrease in the success rate of in silico studies. …”
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Models and Dataset
Published 2025“…</p><p dir="ltr"><br></p><p dir="ltr"><b>TJO (Tom and Jerry Optimization):</b><br>TJO is a nature-inspired metaheuristic algorithm that models the predator-prey dynamics of the cartoon characters Tom (predator) and Jerry (prey). …”