How different energy between unbound and bound conformation of molecules? #memo #journal #JCIM

As we know that, ligand conformation is very important factor of drug design and also it’s difficult to predict binding pose of ligand. So ligand conformational strain energy(LCSE) is very important factor. In the LBDD, we can’t know ligand binding pose so, CompChemists try to generate 3D conformation with several ligand based techniques such as