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CoCoCo databases

CoCoCo is a suite of molecular databases for high throughput virtual screening purposes.
CoCoCo collects molecular structural information of commercial compounds from various chemical vendors by providing it in a ready-to-use format.
The main feature of CoCoCo is to include structural information about conformational states of the compounds.


Figure reproduced by permission of The Royal Society of Chemistry

Purposes of CoCoCo databases

The main aim of the database is to provide a freely available tool for those who wish to set up their own in silico project of drug design, in particular pharmacophore screenings. While CoCoCo is especially conceived for medicinal chemists, this set of tools may be of valuable help also for not-expert that wish to initiate their own project in the field of computational drug design. Take a look to the introductory page and the reference article to better explore the possibilities that CoCoCo offers.

The preparation workflow

CoCoCo databases are prepared with transparent and straightforward routines based on state-of-the-art computational tools. A description of a common preparation protocol and protocols for each version of the database is fully available. Here you may find an overview of the CoCoCo preparation workflow. You may also download the reference article for full information.

Database availability

All CoCoCo screening libraries are available free of charge!

However you may still want to register in order to:

  • Receive CoCoCo update
  • Download publication/posters
  • Take advantage of further CoCoCo products that will be available for registered users
  • Keep in touch with us for sending your feedbacks and comments