In the field of protein structure prediction an avant-garde approach has been tested to overcome stagnation in developing new sampling strategies: The online multiplayer game Foldit leverages human problem solving skills to decipher protein folding problems set up as puzzles. Using Rosetta scoring functions but human-inspired sampling approaches, Foldit players have successfully determined the structure of a retroviral protease. Here a team of scientists that includes developers of Foldit and of RosettaLigand (the SBDD component of Rosetta) have developed a new online drug discovery game FolditDD that will allow for design of novel small molecule drug candidates by players. We will show the algorithms used in the game and results from single atom substitution and fragment based designs by FolditDD players.

FolditDD: Crowdsourcing drug discovery

251st National Meeting (2016)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.