Thanks for the informative paper. Quite interesting.

I suppose this small portion on page 13 could be considered a small summary of the FighAIDS@home projects results:


"Over these past 20 years, application of the AutoDock suite (AD4and ADVina) on FAAH and local platforms has informed and broadened the approaches to HIV therapeutic development. We have examined the role of protein flexibility in allosteric inhibition in HIV protease 49 and integrase 50 using a panel of molecular dynamics snapshots; evaluated new broadly-based (HIV/FIV) protease inhibitors 51, identified new targets for drug development such as HIV capsid 52, and explored the mechanisms of HIV drug resistance evolution 53. With massive numbers of docking results from large FAAH virtual screens, we have utilized machine learning on data generated by FAAH to improve the selection criteria for true positives in the screening 54. In order to further refine AutoDock screening results with more intensive free energy calculations, FAAH has now started a second phase in collaboration with the Levy laboratory, in which molecular dynamics simulations are used to provide better estimates of the free energy of binding 55"


Numbers in bold are the references to the papers, which you can check on the document.