NSU Training Courses on molecular docking dynamics simulations and machine learning

NSU-approve Online Drug Discovery Courses

The Department of Pharmaceutical Sciences, North South University (NSU) is offering a series of approved online training courses on Computational Drug Discovery.
These programs are designed to build practical, research-oriented skills in molecular docking, molecular dynamics, and machine learning–based virtual screening for students, researchers, and professionals.

Course (Batch)Fee (BDT)Pre-Enroll EndsPayment DeadlineClass StartsClasses
Intro Docking & MD (IDMD-2026-B1)6,00022 Feb 202623 Feb 202626 Feb 20266 (Thu & SAT)
Intro Docking & MD (IDMD-2026-B2)6,00018 Mar 202625 Mar 202628 Mar 20266 (Thu & SAT)
Advanced Docking & MD (ADMD-2026-B1)10,00023 Apr 202627 Apr 20262 May 20268 (Thu & SAT)
ML for Virtual Screening (MLVS-2026-B1)10,000Postponed8 (Sun & Tue)

Class Time (All Courses)

7:00 PM – 8:30 PM (BST)
🌐 Mode: Online
🎓 Certificate: Provided upon successful completion

📝 Pre-enrollment

📝 Registration & Payment

📩 Payment links will be sent via email after pre-enrollment.
📄 Payment receipt is mandatory to finalize registration.

Course 1: Introduction to Docking and Molecular Dynamics

Learning Outcomes

Upon successful completion of the course, participants will be able to:

  • Identify and use standard protein and ligand file formats
  • Retrieve biomolecular structures from public biological and chemical databases
  • Perform molecular docking using both standalone and web-based tools
  • Visualize and interpret protein–ligand interactions
  • Set up and run basic molecular dynamics simulations using GROMACS
  • Perform standard MD trajectory analyses including RMSD, RMSF, and hydrogen bond analysis

Prerequisites

  • Basic understanding of biochemistry or molecular biology
  • No prior experience in molecular docking or molecular dynamics is required
  • A working computer (laptop or desktop) with a stable internet connection

Course 2: Advanced Docking and Molecular Dynamics

Learning Outcomes

Upon successful completion of the course, participants will be able to:

  • Build and validate homology models using SWISS-MODEL
  • Perform command-line molecular docking using AutoDock Vina
  • Validate docking protocols through redocking, controls, and decoy-based approaches
  • Resolve ligand parameterization issues within CHARMM36 and AMBER force fields
  • Design molecular dynamics systems with appropriate water models, salt concentrations, and box geometries
  • Conduct advanced trajectory analyses using GROMACS

Prerequisites

  • Prior knowledge of molecular docking and basic molecular dynamics simulations
  • Familiarity with Linux or command-line environments
  • Completion of an equivalent introductory computational drug discovery course is recommended
  • A working computer (laptop or desktop) with a stable internet connection

Course 3: Introduction to Machine Learning for Virtual Screening

Learning Outcomes

Upon successful completion of the course, participants will be able to:

  • Explain the role of machine learning in virtual screening
  • Prepare and curate chemical datasets for ML analysis
  • Generate molecular descriptors and fingerprints
  • Train basic classification and regression models for activity prediction
  • Evaluate model performance using appropriate statistical metrics
  • Apply trained models to virtual screening workflows

Prerequisites

  • Basic knowledge of chemistry or pharmaceutical sciences
  • No prior experience in programming or machine learning is required
  • A working computer (laptop or desktop) with a stable internet connection

Program Highlights

  • Approved by North South University (NSU) authority
  • 👨‍🏫 Conducted by experienced NSU faculty members
  • 💻 Use of highly cited and free computational tools
  • 🧪 Hands-on, practical training
  • 📈 Capacity development for independent research
  • 🌙 Evening online classes
  • 🎓 Certificate of completion
  • 🚫 Limited seats available

📞 Contact Information

For any queries related to pre-enrollment, registration, payment, or course details, please contact the registration organizer.

📧 Email:
[email protected]

⏱️ Response Time:
We usually respond within 1–2 working days.


🏷️ Organizer Details

Registration Organizer

Idgence Research

Training Organizer

Department of Pharmaceutical Sciences
North South University (NSU)

NSU offers online computational drug discovery courses