Course Contents

Course 1.1:⁠  ⁠Molecular Modelling and In Silico (Computational) Drug Research 

Course 1.2: ⁠ Structure-based molecular docking

Course 1.3:  ⁠Molecular dynamics simulation (GROMACS)

Course 1.4:  ⁠RMSD, RMSF, Rg, H-bond & stability analysis

Course 1.5:⁠  ⁠Binding free energy calculations (MMGBSA) Analysis

Course 1.6:⁠  ⁠LIE, FEP & PME Analysis

Course 1.7:  ⁠Protein–ligand interaction modelling