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DSTC-01035 Online (e-LMS) Graduate / Intermediate

Hands-on Molecular Dynamics Simulation, Protein Stability and Binding Free Energy Analysis for Computational Drug Discovery

by - DSTC

Master Hands-on Molecular Dynamics Simulation, Protein Stability and Binding Free Energy Analysis for Computational Drug Discovery in 4 weeks through hands-on, project-based online training with DSTC.

★★★★★ Be the first to review 3 Days · 4.5 hrs e-Certificate Included
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From ₹2,500 + GST

Programme Parameters

Educational Level:
Graduate / Intermediate
Duration & Workload:
3 Days (4.5 Hrs)
Delivery Mode:
Online (e-LMS)
Prerequisites:
• 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 advanced 3‑day hands‑on program introduces practical concepts of molecular dynamics (MD) simulation, protein‑ligand stability analysis, trajectory interpretation, and binding free‑energy calculations for computational drug discovery. Every participant receives a verified e-Certificate and e-Marksheet from the Deep Science & Technology Consortium.

🎯 Program Aim

This advanced 3‑day hands‑on program introduces practical concepts of molecular dynamics (MD) simulation, protein‑ligand stability analysis, trajectory interpretation, and binding free‑energy calculations for computational drug discovery.

📋 Course Objectives

1. Put biotechnology techniques to work on real datasets and case studies.
2. Produce a reproducible, portfolio-ready project you can cite in a thesis, paper, or job application.

👥 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 recordings
🎓

e-Certificate on Completion

Cryptographically verified credential
💬

Post-Programme Support

Direct access to mentors & council
💻

Hands-On Experience

Notebooks, real-world code & datasets

Curriculum Outline

Module 1 Outline

Day 1 – Introduction to Molecular Dynamics Simulation and System Preparation

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

Module 2 Outline

Day 2 – Protein‑Ligand Stability Analysis: RMSD, RMSF & Radius of Gyration

Interpret RMSD for backbone and ligand to assess stability • Analyze RMSF to pinpoint flexible residues • Evaluate radius of gyration for protein compactness

Module 3 Outline

Day 3 – Hydrogen‑Bond Analysis, Binding Free Energy & Report Writing

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

Technical Specifications

ParameterRequirement
Covered Tool / PlatformGROMACS
Covered Tool / PlatformCHARMM-GUI
Covered Tool / PlatformWebGRO
Covered Tool / PlatformMDWeb
Covered Tool / PlatformGoogle Sheets
Covered Tool / PlatformExcel
Covered Tool / PlatformVMD
Covered Tool / PlatformPyMOL
Covered Tool / PlatformChatGPT
Covered Tool / PlatformGemini

Frequently Asked Questions

This is an Recorded Lectures (Self-Paced) course delivered via our e-LMS platform. You will have access to pre-recorded video lectures, reading materials, assignments, quizzes, and hands-on projects that you can complete at your own pace.

Yes! Upon successful completion of all modules, assignments, and assessments, you will receive an e-Certification along with an e-Marksheet from DSTC (DSTC) that you can showcase on your CV and LinkedIn profile.

Learners should have a foundational understanding of Biotechnology concepts. Familiarity with basic tools and programming is recommended.

You will have access to all course materials for the duration of 3 Days (60-90 minutes). The self-paced format allows you to learn according to your own schedule through our online learning management system.

Yes, dedicated mentor support is available throughout the course. You can reach out for doubt-clearing sessions, project guidance, and career advice related to Biotechnology. Our mentors are industry experts and experienced professionals. Enroll in Hands-on Molecular Dynamics Simulation, Protein Stability and Binding Free Energy Analysis for Computational Drug Discovery today and take the next step in your professional journey. With expert-curated content, practical projects, and industry-recognized certification, this course is your gateway to mastering Biotechnology skills that matter.

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