📚 Syllabus & Course Curriculum
Drug Discovery & Pharmaceutical Sciences
Module-by-module breakdown of Hands-on Molecular Dynamics Simulation, Protein Stability and Binding Free Energy Analysis for Computational Drug Discovery, from foundations to a certified capstone project.
Outline
Explain limitations of docking and need for MD validation • Prepare protein‑ligand complexes for MD (solvation, ions, minimization) • Run equilibration (NVT/NPT) and production workflows using GROMACS
Outline
Interpret RMSD for backbone and ligand to assess stability • Analyze RMSF to pinpoint flexible residues • Evaluate radius of gyration for protein compactness
Outline
Quantify hydrogen‑bond persistence and contact stability • Calculate MM/PBSA or MM/GBSA binding free energies • Draft research‑style MD reports using AI‑assisted tools
Earn government-registered certification in Hands-on Molecular Dynamics Simulation, Protein Stability and Binding Free Energy Analysis for Computational Drug Discovery
e-Certificate and e-Marksheet issued on successful completion.
