Tc-43/LHCGR_Agonist_Designs_7FIH

LHCGR Allosteric Agonist Designs — 7FIH (GA-II) 993 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the transmembrane allosteric pocket of the luteinizing hormone / choriogonadotropin receptor (LHCGR), using PDB 7FIH as the receptor. Each molecule was constructed against this pocket rather than selected from a compound library — docking (AutoDock Vina) came afterwards, to place and score the generated molecules in the site. All 993 are… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/LHCGR_Agonist_Designs_7FIH.