Training Drug discovery
Molecular Docking & Virtual Screening for Drug Discovery
An 8-day live program on computational drug discovery: protein and ligand preparation, docking protocols, virtual screening of compound libraries and analysis of results.
- 8 daysMon–Fri, live online
- 1 houra day, evening IST
- 6 modulesEnd-to-end docking
Next cohort
Dates to be announced
- Duration8 days
- ScheduleMon–Fri · 1 hour a day
- ModeLive online (Google Meet)
Curriculum
Complete docking workflows, hands-on
Six modules that take you from target preparation to analyzing docking results.
ChimeraXRCSB PDBCASTpProLIFAlphaFoldChEMBLPubChemRDKitSwissADMEAutoDock VinaAutoDock4DOCK6ZINCLigPlot+Jupyter
01
Drug discovery and molecular docking
Introduction to computational drug discovery and docking. Tool: ChimeraX.
02
Protein structure preparation and analysis
Prepare and analyze target structures. Tools: RCSB PDB, CASTp, ProLIF, ChimeraX, AlphaFold.
03
Ligand preparation and database management
Retrieve and prepare ligands. Tools: ChEMBL, PubChem, RDKit, SwissADME, Python (Jupyter).
04
Molecular docking implementation
Run docking with standard engines. Tools: AutoDock Vina, AutoDock4, DOCK6.
05
Virtual screening workflows
Screen compound libraries. Tools: AutoDock Vina, ZINC, ChEMBL.
06
Results analysis and visualization
Analyze and visualize docking results. Tools: ChimeraX, ProLIF, LigPlot+, RDKit.
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) | ₹1,500 | USD 30 |
| PhD scholars | ₹2,000 | USD 40 |
| Postdocs / research scholars | ₹2,500 | USD 50 |
| Staff / faculty | ₹3,000 | USD 60 |
| Industry professionals | ₹3,500 | USD 70 |
Teaching team
Course instructors
AADr. Ajitha AntonyBioinformatics Trainer, CBIRT
TADr. Tamanna AnwarFounder, CBIRT
Format
How the course runs
- DatesTo be announced
- SessionsMon–Fri, 1 hour a day (last cohort: 6:00–7:00 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 Docking & Virtual Screening?
Get notified when the next cohort opens, or ask us about prerequisites and fees.