AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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QSAR Modeling, In-silico ADMET, Molecular Docking, Biological Efficacy and Retrosynthesis: Study of Potential Anti-cancer Agents with Inhibitory Effect on Liver Cancer Stem Cells
In silico framework for designing and validating a multi-stage subunit vaccine against Tuberculosis using reverse vaccinology approach
The proposed construct could serve as a potential vaccine candidate for detailed experimental validation towards developing an Mtb-specific vaccine and is encouraging in silico data.
Computational and Structure-Guided E-Pharmacophore-Based Virtual Screening for the Identification of Novel NEK2 Kinase Inhibitors as Potential Anticancer Agents
The overall results of the MD showed the overall stability of the NEK2–ligand complexes, and thus these three compounds are promising NEK2 inhibitor candidates and could be further validated in vitro and in vivo for clinical application.