Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Chemical structures of the compounds selected for the experimental validation
Chemical structure and results of analysis of DSF or NMR assays are given for each fragment (+/−). Energy values (in kcal·mol−1) corresponding to the score provided by the scoring function of AutoDock Vina are given. Bold boxes indicate compounds 17–19 that derive from compound 12 in a second round of screening.
