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[CDOCKER protocol and Calculating Binding Energies in Discovery Studio] is it posssible for a complex to have lower binding energy but weaker interactions?
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Lisa Torres
[CDOCKER protocol and Calculating Binding Energies in Discovery Studio] is it posssible for a complex to have lower binding energy but weaker interactions?
Maybe it’s taking into account the energy penalty for the ligands to go from minimum energy conformation to bound conformation. That might be more for ref ligand than top1 ligand.
Maybe it’s taking into account the energy penalty for the ligands to go from minimum energy conformation to bound conformation. That might be more for ref ligand than top1 ligand.More
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