Docking of Drugs-Protein for COVID-19 and Prediction of pKa Using Quantum Calculations

THEORETICAL STUDY OF SOME DRUGS USING QUANTUM CHEMICAL, MOLECULAR DOCKING AND STATISTICAL ANALYSIS FOR DETERMINATION OF REDUCTION POTENTIAL

EXPLORING THE ANTIOXIDANT AND DOCKING POTENTIAL OF NOVEL BINUCLEAR SCHIFF BASE COMPLEXES: SYNTHESIS AND STRUCTURAL INSIGHTS

Evaluation of some hydrazide derivatives as inhibitors of colorectal cancer by molecular docking and the prediction of IC50 by quantum calculations

Preparation and characterization of ionic liquids derived from imidazole with some transition elements and study of their thermal stability and thermodynamic parameters

Structural Elucidation, Antioxidant Properties, and In Silico Molecular Docking of Schiff Base Complexes Derived from Naphthalene-1,8-diamine and Terephthalaldehyde