Atomic Contact Energy

Question

[Dollas Salleh]

Can we share about the importance of Atomic Contact Energy in protein-ligand docking and how the atomic contact energy values are interpreted?

Thanks

[Pappu]

It depends on the docking program. The score is based upon LJ, Coulomb, H-bonding interaction energy, solvation free energy etc. Look at autodock manual.

[Dollas Salleh]

Thanks. Sure. I'm looking forward to it.