BOSTON Area | November 15, 2023 | Le Meridien Boston Cambridge 20 Sidney Street, Cambridge, MA, 02139, United StatesMAP
In order to process your request, CCG requires the following information from you. CCG does not sell, rent, or trade personally identifiable information with third parties. Please see CCG's Privacy Notice for more information on why we need this information and how it will be used.
The course describes computational SBDD workflows aimed at advancing medicinal chemistry campaigns. Using real examples, attendees will learn how to search databases of structural families to analyse protein-ligand interaction patterns and use these, and pharmacophore constraints, to guide docking.
Fragment Replacement, Chemical Transformations and Library Enumeration
The workshop demonstrates how lead optimization can be advanced by performing scaffold replacement and medchem transformations on a ligand within the context of a receptor pocket. Also, a diverse library of compounds will be enumerated using real chemical reactions using large reagent databases and in-house libraries.