Programme Parameters
Graduate / Intermediate
3 Days (4.5 Hrs)
Online (e-LMS)
• A basic understanding of the subject area and fundamental programming or scientific concepts.
• A laptop or desktop with a stable internet connection.
• Willingness to complete assignments and the capstone project.
About This Course
This 3‑day hands‑on course introduces participants to the practical workflow of computational drug discovery using AI‑assisted protein structure prediction, molecular docking, and virtual screening. Every participant receives a verified e-Certificate and e-Marksheet from the Deep Science & Technology Consortium.
🎯 Program Aim
This 3‑day hands‑on course introduces participants to the practical workflow of computational drug discovery using AI‑assisted protein structure prediction, molecular docking, and virtual screening.
📋 Course Objectives
1. Put biotechnology techniques to work on real datasets and case studies.
2. Assemble a documented case study that evidences your applied capability.
👥 Who Should Enroll?
• Master's and senior undergraduate students specializing in biotechnology
• R&D engineers and working professionals applying biotechnology in industry
• Academics and educators building research or teaching capacity in biotechnology
🚀 Key Learning Outcomes
• A portfolio-grade biotechnology deliverable you can defend and extend.
• A verified e-Certificate of competency and e-Marksheet from the Deep Science & Technology Consortium.
💎 What You'll Gain
Live & Recorded Sessions
Lifetime access to class recordingse-Certificate on Completion
Cryptographically verified credentialPost-Programme Support
Direct access to mentors & councilHands-On Experience
Notebooks, real-world code & datasetsCurriculum Outline
Day 1 – Protein Target Selection & Structure Prediction
Explore computational drug discovery fundamentals • Retrieve protein sequences from UniProt and structures from RCSB PDB • Generate AI‑based models with AlphaFold and perform quality checks
Day 2 – Ligand Selection, Protein & Ligand Preparation, Docking
Retrieve drug‑like compounds from PubChem • Prepare proteins and ligands for docking • Execute docking using SwissDock/CB‑Dock2/AutoDock Vina workflows
Day 3 – Result Visualization, Interaction Analysis & Virtual Screening
Visualize binding poses with PyMOL or Discovery Studio • Analyze hydrogen bonds, hydrophobic and van der Waals interactions • Conduct mini virtual‑screening and generate AI‑assisted reports
Technical Specifications
| Parameter | Requirement |
|---|---|
| Covered Tool / Platform | AutoDock Vina |
| Covered Tool / Platform | PyRx |
| Covered Tool / Platform | Schrödinger Suite |
| Covered Tool / Platform | GROMACS |
| Covered Tool / Platform | ChemDraw |
| Covered Tool / Platform | Discovery Studio |
| Covered Tool / Platform | ADMET Predictor |
Frequently Asked Questions
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