Compound idea generationCompound idea generation is the process of designing new molecular structures likely to bind a biological target, using structural insights,...
Article In Silico Library Enumeration in Flare™: Using prebuilt and custom reactions to ‘synthesize’ heterobifunctional moleculesWhat is library enumeration? Library enumeration is a useful tool to build virtual compound libraries for in silico experiments, such as virtual...
Article Performing chemical modifications using the Library Enumerator in Flare™Abstract The correct assignment of the tautomeric and protonation states of ligands is critical for successful molecular modeling experiments...
