Upcoming workshop · 2-Day Online Molecular Docking Workshop
Molecular Docking, Multi-Ligand Docking and Publication-Ready Figures
A 2-day online workshop by Discovery Boulevard: Day 1 free, Day 2 paid
About the workshop
Day 1 is free for everyone and ideal for beginners or anyone exploring molecular docking. It covers the complete basic docking workflow: preparing the receptor and the ligand, defining the active site, running the docking, reading the results, visualising the interactions and validating the docking.
Day 2 is paid and moves to docking at scale: building or downloading a ligand library, configuring and running AutoDock Vina, docking multiple ligands with PyRx, and generating publication-ready 3D and 2D interaction figures.
All participants must join the WhatsApp group, because the session link is shared only through WhatsApp.
- Live online
- Day 1 free
- Session recordings
- PDF tutorials
- Certificate for 2-day participation
Curriculum
What the workshop covers
Two evenings, from your first docking run to docking a whole ligand library.
- Day 1 · Free · Mon 2 Nov
Basic molecular docking
- The drug discovery pipeline and key docking concepts
- Downloading the receptor from the PDB and preparing it: removing water, adding hydrogens and charges
- Preparing the ligand in AutoDockTools: polar hydrogens, charges and PDBQT format
- Defining the active site and generating the grid parameter file
- Choosing the docking algorithm, generating the docking parameter file and running the docking
- Reviewing binding affinities and extracting the best binding modes
- Visualising hydrogen bonds and hydrophobic interactions in ChimeraX or online tools
- Validating the docking by superimposing on the native ligand and checking RMSD
- Day 2 · Tue 3 Nov
Multi-ligand docking and publication-ready figures
- Docking multiple ligands against one receptor, and why AutoDock Vina suits high-throughput docking
- Downloading a ligand library from ZINC, energy minimisation and conversion to PDBQT with Open Babel
- Writing the Vina configuration file: receptor, grid box and ligands
- Running AutoDock Vina from the command line and multi-ligand docking in PyRx
- Visualising interactions and generating publication-ready 3D and 2D interaction figures
What you receive
- Video recordings of both sessions (Day 2 participants)
- Detailed tutorials in PDF
- Certificate for 2-day participation
Who it is for
- Beginners and anyone exploring molecular docking
- M.Sc., M.Pharm and Ph.D. students in life sciences and pharmacy
- Researchers who want to dock a ligand library and produce publication-ready figures
Register
Fees & registration
Day 1 free · Day 2 ₹350 / $8
Rupees for participants in India, US dollars for international participants.
Day 1 is free. The Day 2 fee is ₹350 (India) or $8 (international) and covers the recordings and materials for both days.
1. Fill in the registration form
Go to the form2. Pay the Day 2 fee (skip this step if you attend Day 1 only)
3. Join the WhatsApp group
Session links and updates are shared only in the group.
Join the WhatsApp group
Good to know
- • Join the WhatsApp group: the session link is shared only through WhatsApp.
- • Any schedule change is announced in the WhatsApp group.
- • The registration fee is non-refundable and non-transferable.
Registration and queries
Registration form
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