Advanced machine learning methods impacted not only the prediction of properties for
small molecules and quantitative structure− activity relationships 1 but also the prediction of …

… model for AlphaFold2 are now available for download via GitHub 1 . … of AlphaFold2 and
has already been applied to predict structures of several protein complexes. Like AlphaFold2, …

… available from AlphaFold2. Here, we combine AlphaFold2 with molecular docking simulations
… learning‐based approaches, are needed to better harness AlphaFold2 for drug discovery. …

… ’s AlphaFold2 in the context of its biological and therapeutic applications. We summarize
the subtleties associated with evaluation of AlphaFold2 … of proteins that AlphaFold2 can be …

AlphaFold2 (AF2) models have had wide impact, but they have had mixed success in
retrospective ligand recognition. We prospectively docked large libraries against unrefined AF2 …

… applied AlphaFold to our end-to-end AI-powered drug discovery … A novel hit molecule
against a novel target without an … the molecules based on the structure predicted by AlphaFold, …

… AlphaFold2 (AF2) and RosettaFold have greatly expanded the number of structures available
for structure-based ligand discovery, even though retrospective studies have cast doubt on …

… by developing the artificial intelligence (AI) system AlphaFold2 (AF2). The AF2 system provides
a … compared to the experimental structures in drug discovery, focusing on one of the most …

… AlphaFold2 (AF2) algorithm predicts proteins’ 3D structures from amino acid sequences. The
open AlphaFold protein … Using an industry-leading molecular docking method (Glide), we …

… Recently, AlphaFold2 has been developed to predict structure models of many functionally
… structure models predicted by AlphaFold2. We revealed that AlphaFold2 could capture the …