Hi great job!
I generate model based on 1PXL.pdb
get such ph model
For me, it is still not clear how the number of pharmacophore features can be adjusted. Also, the model seems to use only hydrogen-bond and hydrophobic features. Is there a way to include halogen interactions and aromatic features as well?
Finally, it is not clear to me how features such as H-bond acceptors (ACC), donors (DON), aromatic groups (ARO), and others are used during the screening process (e.g HN is donor, COO is aceptor). Is there any documentation or description available that explains this in more detail?
I would be very grateful for any help or guidance regarding these questions.
Hi great job!
I generate model based on 1PXL.pdb
get such ph model
For me, it is still not clear how the number of pharmacophore features can be adjusted. Also, the model seems to use only hydrogen-bond and hydrophobic features. Is there a way to include halogen interactions and aromatic features as well?
Finally, it is not clear to me how features such as H-bond acceptors (ACC), donors (DON), aromatic groups (ARO), and others are used during the screening process (e.g HN is donor, COO is aceptor). Is there any documentation or description available that explains this in more detail?
I would be very grateful for any help or guidance regarding these questions.