Download Basics of Computational Drug Design and Molecular Docking 2025
Basics of Computational Drug Design and Molecular Docking video course download, Structure-Based Drug Design: Docking, Molecular Dynamics, Free Energy Calculations, ADMET. This course is designed to be accessible to beginners, and no prior experience in computational drug design or molecular modeling is required. Learners with a basic understanding of biology or chemistry at the undergraduate level will find the concepts easier to grasp. Familiarity with proteins, enzymes, and small molecules can be helpful, though all essential ideas are explained clearly from the fundamentals.
What you’ll learn
- Explain the core principles of computational drug design and molecular docking, including molecular recognition and structure-based drug discovery concepts.
- Prepare proteins and ligands and perform molecular docking and virtual screening using standard computational workflows and tools.
- Interpret docking, molecular dynamics, and free energy calculation results to evaluate ligand–receptor stability and binding affinity.
- Assess drug-likeness, ADMET properties, and toxicity risks to support informed lead selection and optimization in drug discovery.
Course content
- Introduction to Computational Drug Design
- Fundamentals of Molecular Recognition
- Protein Structure and Function Essentials
- Ligand Chemistry and Small-Molecule Representation
- Virtual Screening Methods
- Principles of Molecular Docking
- Docking Workflow Using Popular Tools
- Interpreting Docking Results
- Molecular Dynamics (MD) Basics
- Free Energy Calculations
- ADMET and In Silico Toxicity Prediction
- Case Studies and Practical Applications
Who this course is for:
- This course is intended for students and early-career learners who want a clear and structured introduction to computational drug design and molecular docking. It is especially valuable for learners from life sciences, biotechnology, pharmacy, chemistry, biomedical sciences, and bioinformatics who wish to understand how computational tools are used in modern drug discovery.
Course details
- Video quality: MP4 | Video: h264, 1280 × 720
- Audio quality: Audio: AAC, 44.1 KHz, 2 Ch
- Last updated 12/2025
- Video duration: 1h 47m
- Number of lessons: 2 sections, 12 lectures
- Language: Language: English
- Compressed file size: 1.83 GB
