Training Drug discovery
Molecular Dynamics Simulations of protein–ligand complexes
A two-week live program covering MD simulations of protein–ligand complexes, from system preparation and force-field parameterization to production runs, trajectory analysis and publication-quality results.
- 2 weeksMon–Sat, live online
- 1 houra day, evening IST
- 6 modulesHands-on in GROMACS
Next cohort
Dates to be announced
- Duration2 weeks
- ScheduleMon–Sat · 1 hour a day
- ModeLive online (Google Meet)
Curriculum
From setup to insight
Six modules that take you through a complete MD project.
GROMACSPyMOLChimeraChimeraXVMDAvogadroCGenFFMDAnalysisProLIFBio3DPythonRCommand line
01
Introduction to MD and force fields
Principles of molecular dynamics, force fields and parameterization.
02
System preparation
System setup, ligand parameterization and topology generation, solvation and ion placement. Tools: GROMACS, Avogadro, CGenFF.
03
Energy minimization and equilibration
Prepare a stable system for simulation. Tool: GROMACS.
04
Production MD simulations
Run production simulations. Tool: GROMACS.
05
Trajectory and interaction analysis
Basic and advanced trajectory analysis and protein–ligand interactions. Tools: MDAnalysis, ProLIF, Bio3D, VMD.
06
Visualization, reporting and interpretation
Visualize results and report them. Tools: PyMOL, ChimeraX, Matplotlib.
Who should apply
Eligibility
- Students in B.Sc., B.Tech., M.Sc., M.Tech. or PhD programs in life sciences or computer science
- Postdocs and research scholars
- Teaching and industry professionals
What’s included
Program benefits
- Live, instructor-led sessions
- Recordings of every session
- Workshop materials
- Certificate
- Online technical support after the workshop
Fees
Course fees
One fee covers all live sessions, recordings, materials and the certificate. Payment and registration open when the next cohort is announced.
| Category | India (INR) | International (USD) |
|---|---|---|
| Students (up to Master’s) | ₹2,250 | USD 40 |
| PhD scholars | ₹2,500 | USD 45 |
| Postdocs / research scholars | ₹2,750 | USD 50 |
| Staff / faculty | ₹3,000 | USD 55 |
| Industry professionals | ₹3,500 | USD 60 |
Teaching team
Course instructors
PJDr. Petrina JebamaniBioinformatics Trainer, CBIRT
TADr. Tamanna AnwarFounder, CBIRT
Format
How the course runs
- DatesTo be announced
- SessionsMon–Sat, 1 hour a day (last cohort: 7:15–8:15 PM IST)
- PlatformGoogle Meet (live)
- Missed a session?Recordings provided
FAQ
Course questions
When does the next cohort start?
Dates are not announced yet. Click Notify me or message us on WhatsApp, and we’ll tell you when enrollment opens.
Do I need prior experience?
A basic understanding of bioinformatics is expected.
What will I need on my computer?
A computer running Windows 10/11, macOS or Linux, with a reliable internet connection. Google Meet runs in your web browser.
What if I miss a live session?
Every session is recorded, and you get access to the recordings.
Will I get a certificate?
Yes. The certificate is awarded on completing the course assignment.
Interested in Molecular Dynamics Simulations?
Get notified when the next cohort opens, or ask us about prerequisites and fees.