Small molecule

Small molecule drug discovery

Prepare inputs, screen compounds, dock candidates, and export the evidence behind a shortlist worth testing.

Start workflowView tools
proteiniq.io/app/workflows/templates?template=structure-based-virtual-screening

Prepare, screen, dock, and shortlist

Move from target and compound library to prepared files, screening tables, docking results, and an exportable set of candidates for follow-up.

Build a connected workflow

Start from a target and compound set, then connect preparation, screening, docking, and export steps without rebuilding the run by hand.

Start workflow

Compare docking results

Inspect ranked binding poses, compare score tables, and keep logs and downloadable structures attached to the result.

Run AutoDock Vina

Screen risk early

Use ADMET, toxicity, drug-likeness, and liability checks before docking to reduce a library, or after docking to pressure-test a shortlist.

Predict ADMET properties

Questions & answers

Start small molecule drug discovery in ProteinIQ

MonthlyAnnual (save 20%)

Free

$0

Includes:

  • 100 credits
  • 3 jobs per day
  • 1 concurrent job
  • 1 workflow
  • 1 seat
  • Core tool features
  • Academic license

Lite

$9$7/month

Everything Free, plus:

  • 500 credits / month
  • No daily job limit
  • 2 concurrent jobs
  • 3 workflows
  • Advanced tool settings
  • AI assistant, SVG export, batch runs, and workflows

Plus

$29$23/month

Everything Lite, plus:

  • 2,000 credits / month
  • 5 concurrent jobs
  • 5 workflows

Pro

Best value
$99$79/month

Everything Plus, plus:

  • 8,000 credits / month
  • 10 concurrent jobs
  • 20 workflows
  • Commercial license

Enterprise

Custom

Everything Pro, plus:

  • Custom credit allocation
  • Shared workspace seats and credits
  • Invoice billing, purchase orders, and vendor setup
  • Unlimited workflows
  • Custom workflows, integrations, and security review
View all plans and compare features