CANDIG

Crowdsourcing Algorithms to ideNtify Drugs via Interactive Gaming

Table of Contents

Overview

How it works

Videos

candig_logo

Overview

CANDIG is a game build against the CANDOCK toolset that allows players to design and dock compounds into a binding site of choice. The predicted affinity is presented to the player as their score where the goal of the game is to achieve the highest score. Compounds with the best score will be synthesized by the lab and tested for efficacy in disease relevant cell lines. If these compounds are successful in vitro, the player that designed the compounds will be co-authored on any publications that involve their compound.

How it works

The game is currently built upon the Steam VR platform. When the player initiates CANDIG, they are presented with an introduction screen that allows them to pick a target protein of interest. Players are free to pick their targets or select from a list of interesting targets curated by the developers from the RCSB Protein Data Bank. These targets are selected based their impact on human health, allowing the player to contribute to the study of common diseases.

Once a target is selected, the player is then emersed in a virtual reality environment that allows them to manipulate both a ligand and the protein that surrounds them by rotating and translating all of the atoms in their environment. The ligand in their environment is mutable, giving the player the capacity to design new molecules for their target of interest. Changes made by the player are scored using the CANDOCK toolset and new compounds and docked poses that have the highest score are sent to the developers.

Actions performed during the game are recorded and can be analyzed by the developers to develop new compound design algorithms.

Videos