Hi, I have a problem with CDOCKER score.
I'm trying to research how my ligand has a less negative CDOCKER interaction energy yet has a stronger interaction than the reference ligand. Maybe it's because of the software's scoring mechanism.
For example, My reference compound that CDOCKER interaction energy is 50, and non-bond interactions are 10.
My Top 1 test compound that CDOCKER interaction energy is 40, and non-bond interactions are 15.
However, these two compounds binding poses are similar.
Can you help me find a reference or explain? Thank you.