Open mwinokan opened 8 months ago
Potentially use molecule set from When does chemical elaboration induce a ligand to change its binding mode?
Use posebutcher to predict which vectors/elaborations will be successful? Compare success against Fragmenstein mRMSD & ddG
Potentially use molecule set from When does chemical elaboration induce a ligand to change its binding mode?
Use posebutcher to predict which vectors/elaborations will be successful? Compare success against Fragmenstein mRMSD & ddG