software for ligand-receptor interaction energy evaluation ?
a colleague of mine asked me if I could calculate interaction energies between
a ligand and a receptor into which he docked some compounds.
I had a look at some of the complexes and it seems like he wants to use this
for a reevaluation of the activity of his docked structures.
Unfortunately I am not too much into this sort of energy calculations and now I
am looking for a freeware program that is able to do that with not too much
I would be very grateful if anybody could point me into a direction.
Chemometriks and Drug Design
Dept. of Pharmacy
Phone: +49 - 931 8885473