Dear all,
I am new in docking. I ned help in analysis the of an inhibitor on an enzyme after i ran LigandFit (Dock)
i had these parameters (listed below) but how could I know which one (or few) to look at to select the best pose? what actually each parameter means (i try to understand its from the `Help` but i cant. pls guide me how to understand those parameters better?)
- LigScore1
- LigScore2
- PLP1
- PLP2
- Jain
- LogP
- PMF
- ALogP
- Absoulte Energy
- Dock Score
- Ionization pH
- LF-rotlbond
- Lig_internal energy
once i got the best pose, how do i present the results?
how to show the bonding involve in between ligands and aminoacid involved?
Appreciate alot for your help.
Regards,
Mai
