Docking of Drugs-Protein for COVID-19 and Prediction of pKa Using Quantum Calculations
AA Ibrahim - NTU Journal of Pure Sciences, 2024 - journals.ntu.edu.iq
For the computations of the compounds, the Gaussian 03 software has been applied
utilizing (AM1),(HF), and density functional theory (DFT). Four medications have been …
utilizing (AM1),(HF), and density functional theory (DFT). Four medications have been …