AutoDock-GPU

Drug discovery and biotech · by AutoDock

Current docking engine (2021–present) with re-implemented improvements for protein-ligand docking methods and protocols.

What it does

Current docking engine (2021–present) with re-implemented improvements for protein-ligand docking methods and protocols. Distributed via GitHub.

  • X-ray crystallography
  • structure-based drug design
  • lead optimization
  • virtual screening (HTS)
  • combinatorial library design
  • protein-protein docking
  • chemical mechanism studies
Category
Drug discovery and biotech
Users
structural biologists, medicinal chemists, computational drug discovery researchers
Public API
Not offered

Not yet disclosed: deployment options, platforms, languages and support channels.

Pricing

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Security and compliance

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