New Tool, New Paper: NAOMInext - Synthetically Feasible Fragment Growing
20. Dezember 2018
Fragment growing, already applied in the 1990'ties, is one of the oldest structure-based de novo design techniques. The broad application was usually hampered by the lack of synthetic accessibility. With recent developments in the description of mostly stable, frequently applied synthetic reactions, we were able to create a next generation tool for structure-based design combining fragment growing in the active site with virtual synthesis. Many examples can be found in our recent publication in the European Journal of Medicinal Chemistry.
View the article: K. Sommer, F. Flachsenberg, and M. Rarey (2018), European Journal of Medicinal Chemistry, 163, 747-762
NAOMInext is available as part of our NAOMI ChemBio Suite free for academic use. More information can be found here.