Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c00813
Abstract: Fragment-based drug discovery (FBDD) has successfully led to approved therapeutics for challenging and "undruggable" targets. In the context of FBDD, we introduce a novel, multidisciplinary method to identify active molecules from purchasable chemical space. Starting… read more here.
Keywords: structure first; magnet needle; chemical; haystack crystal ... See more keywords
Molecular Structure: The First and Most Significant Factor in the Precipitation of Asphaltenes
Sign Up to like & getrecommendations! Published in 2022 at "SPE Journal"
DOI: 10.2118/212311-pa
Abstract: For decades, asphaltene deposits have been one of the most common problems in the oil industry in production, transportation, refining, processes, and storage. To find a solution, researchers have always faced three intertwined challenges of… read more here.
Keywords: structure; factor; structure first; molecular structure ... See more keywords