Sir,
Docking programs usually use am1bcc charge for docking purposes. But its
total charge will be 0.00x . but gaussian gives 0.00000000x. would this
difference affect the overall binding site or conformation of the ligand in
a DNA -ligand system. a 15 ns explicit simulaltion.
thanking you
Mary Varughese
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Received on Fri Aug 23 2013 - 23:30:02 PDT
