3D- QSAR, ADMET, and Molecular Docking Studies for Designing New 1,3,5-Triazine Derivatives as Anticancer Agents

Molecular Docking and DFT Study of Synthesized Oxazine Derivatives

Density Functional Theory (DFT) Investigation and Molecular Docking Simulation of 1, 2, 4-triazole Derivatives as Potent Inhibitors Against a Receptor (DNA Gyrase)

Theoretical Drug Design, Molecular Docking And ADME Study Of New 1,3,4-Oxadiazole Derivatives: Promising Anticancer Agents Against Both Breast And Lung Cancers

Molecular Docking, Synthesis and ADME Studies of New Pyrazoline Derivatives as Potential Anticancer Agents

In Silico ADME Prediction and Molecular Docking of 1,2,3-Triazole-based Compounds Against Human Aromatase Cytochrome P450

Molecular docking and pharmacophore modelling; A bridged explanation with emphasis on validation

3D-Molecular Modeling, Antibacterial Activity and Molecular Docking Studies of Some Imidazole Derivatives

Computer modeling, docking, spectroscopic analysis, and antibacterial testing of metal chelates with dioxatetraaza ligand.

Synthesis, Characterization, Molecular Docking and Biological Activity Studies of Hydrazones with 3,4,5-Trimethoxyphenyl Moiety