What is this about

You may be asking yourself, what is this website, and docking.org more generally, all about?

The aim of this work is to develop, publish, and make available software tools for ligand discovery. With few exceptions, we make the software and its source code available for free to everyone. By making these tools and databases available, we hope that investigators will be able to use them to discover new chemistry for new biology, advancing our understanding of biology, and for drug discovery.

• tool 0. starting in 1981 was DOCK. DOCK is a program to fit and score small molecules in the binding site of proteins "molecular docking". It is the original software, which requires a database, which we call ZINC.

• tool 1. starting in 2004 was ZINC. ZINC is a database of commercially available compounds for virtual screening. There are multiple versions of ZINC from 2005, 2008, 2012, 2015, 2020 (current). There is also ZINC-22, a separate database.

• tool 2. starting in 2008 was DOCK Blaster. DOCK Blaster aims to make DOCK as easy to use as Blast.

• tool 3. starting in 2007 was SEA. SEA can predict the biological target of small molecules based on their similarity to known (annotated) molecules for various targets, based on the literature as captured in ChEMBL.

• tool 4. starting in 2013 was Excipients

• tool 5. starting in 2015 was Aggregator advisor

• tool 6. starting in 2018 was TLDR. TLDR is a workbench of many tools

• tool 6. starting in 2022 was ZINC22. With ZINC-22, we have a different name for the website Cartblanche22 and the database it accesses [[:Category:ZINC22 | ZINC22].

• All the way along, we continued to make improvements, and new versions of these tools.