setup Installing VSCode and PyMOL A beginner-friendly guide to installing Visual Studio Code and PyMOL on Windows and Mac. Getting Started with Visual Studio Code A beginner's guide to the VSCode interface, the integrated terminal, and how kernels connect to WSL. Installing PyRosetta (Windows) A step-by-step guide to setting up PyRosetta for protein modelling on Windows. Installing PyRosetta (Mac) A step-by-step guide to setting up PyRosetta for protein modelling on Mac. files Files — PDB File Understanding Protein Data Bank Files Before You Visualise Them pymol PyMOL Project A — Meet Your Protein PyMOL for Beginners — Loading and Visualising a Real Protein PyMOL Project B — Exploring the Binding Pocket PyMOL — Finding Where Drugs Attach to Proteins PyMOL Project C — Comparing Three Drugs Side by Side PyMOL — Aligning and Comparing COX-2 Inhibitors Visually PyMOL Project D — Visualising Mutations and Drug Resistance PyMOL — How a Single Amino Acid Change Can Break a Drug PyMOL Project E — Visualising Docking Results PyMOL — Bringing Your PyRosetta Results to Life rosetta Project 1 - Protein Stability Drug Design with PyRosetta — Alanine Scanning of Lysozyme Project 3 - Scoring Protein Structures Drug Design with PyRosetta — Comparing Structure Quality Across PDB Models Project 4 - Visualizing Drug Binding Sites Drug Design with PyRosetta — Mapping the COX-2 Active Site Project 2 - Protein-Ligand Docking Drug Design with PyRosetta — Comparing COX-2 Inhibitors Project 5 - Alanine Scanning of a Binding Site Drug Design with PyRosetta — Identifying Critical Residues for Drug Binding Project 6 - Antibiotic Resistance Simulation Drug Design with PyRosetta — Modelling Resistance Mutations in β-Lactamase
