Sir,
Is it possible to do absolute binding energy calculation for a ligand
binding to a receptor using TI. Not relative binding energy but absolute.
Could i do a transformation where the ligand disappear from the binding
site of the receptor? (similar to solvation energy calculation where
toluene disappear from the solvent)
Also Is there any other method for that other than MMPBSA and TI.
thanking you
mary
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Received on Sat Apr 16 2016 - 00:00:04 PDT
