Free
$0
One-time credit at signup.
- 1 credit at signup
- 7-day result storage
MolecularDocking.online
One-click AutoDock Vina docking in the browser, no install.
Freemiummoleculardocking.onlineUpdated
About MolecularDocking.online
MolecularDocking.online runs AutoDock Vina in the browser with no local install. Enter a PDB ID or upload a receptor, submit SMILES or SDF ligands, and get affinity tables, PLIP interactions, PoseBusters QC, PDF reports, and pose ZIP exports. Meeko prepares the receptor and ligands. Built for medicinal chemistry, structural biology, and coursework. A free tier is available; paid plans start around $9.99 per month.
Best for
- Small ligand sets
- Thesis and coursework docking
- Quick rigid-receptor Vina runs without Linux setup
- Thesis docking: Dock a few candidate ligands to a PDB target and export a PDF with methods text.
- Coursework: Students run Vina without installing Linux tools.
- Small library screening: Score up to 300 SMILES against one receptor.
- Pose inspection: Review PLIP interactions and PoseBusters checks before deeper simulation.
Not ideal for
- Flexible-receptor or non-Vina docking workflows
- Very large virtual screens
- Users who need a named legal entity or SLA
Popular with
- Students
- Medicinal chemists
- Structural biologists
- Academic researchers
Key features
- Browser-based Vina docking
- Flexible inputs
- Automatic preparation
- Affinity tables
- Interaction analysis
- Pose quality checks
- Reports and exports
- Batch jobs
- Optional PyMOL figures
- Multilingual interface
Pros and cons
Pros
- No local install or Linux setup needed for AutoDock Vina
- Clear credit-based pricing from $9.99 per month, with one-time packs
- Reports include QC, interaction analysis, methods text and citations
- Credits the open-source tools it builds on and states results need validation
- Sample report with version numbers for the whole pipeline
Cons
- Operator is not named; the terms say no separate corporate entity is stated
- Rigid-receptor Vina only; no other docking engines
- Free tier is a single one-time credit with 7-day storage
- Refunds are limited to platform failures
- Terms are governed by the laws of the People's Republic of China
Pricing
Plans as listed by the vendor on . Check their site for current prices.
Student
$9.99/month
Entry paid plan.
- 5 credits per month
- 14-day result storage
Research
$24.99/month
For regular use with parallel jobs.
- 16 credits per month
- 2 concurrent jobs
- Priority queue
- 30-day result storage
Lab
$49.99/month
For groups and heavier use.
- 35 credits per month
- 5 concurrent jobs
- Priority queue
- 90-day result storage
Single Run Pass
$7.99/one-time
One-time credit pack.
- 3 credits
Screening Pack
$19.99/one-time
One-time credit pack.
- 10 credits
Our ratings
Scored out of 10 by the Finder Atlas editorial team.
7.2overall
- Ease of Use
- 8.0
- Report Quality
- 7.8
- Pricing Clarity
- 8.0
- Scientific Depth
- 6.8
- Transparency
- 5.5
Platforms and integrations
Available on
- Web
Works with
- AutoDock Vina
- Meeko
- RDKit
- PLIP
- PoseBusters
- PyMOL
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Release history
- v1.9.4
The sample report lists AutoDock Vina 1.2.7, Meeko 0.7.1, RDKit 2025.3.6 and PLIP 3.0.0
The sample report lists AutoDock Vina 1.2.7, Meeko 0.7.1, RDKit 2025.3.6 and PLIP 3.0.0.
Reviews
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Frequently asked questions
Is MolecularDocking.online the official AutoDock Vina site?
No. It is an independent hosted service that uses open-source AutoDock Vina and credits Vina and its other components. It does not claim affiliation with Scripps Research.
How much does a docking run cost?
One credit covers 1 to 3 ligands; larger batches cost 1 credit per 5 ligands, rounded up. PyMOL figures add 0.5 credit and the optional AI paper draft adds 1 credit.
Is there a free option?
New accounts receive one credit at signup, with results stored for 7 days. Ongoing use needs a subscription or a credit pack.
Will I get a refund if a ligand fails to dock?
No. Refunds apply only if the platform fails to deliver any report or ZIP. Invalid inputs and ligands that fail to dock are not refunded.
Is the docking done by AI?
No. Docking uses AutoDock Vina, a physics-based engine. AI is only used for an optional paper-draft add-on through DeepSeek or Google Gemini.
How long are results kept?
7 days on Free, 14 on Student, 30 on Research and 90 on Lab. Files are deleted afterwards.
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