AMBER: MM_PBSA question

From: Tiziano Tuccinardi <tuccinardi.farm.unipi.it>
Date: Thu, 24 Nov 2005 10:01:53 +0100

Dear all,
Is it possible to compare the binding free energy of two ligands with a
different total charge using the MM_PBSA or the MM_GBSA method?

Thanks in advanced
Tiziano

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+++++++++++++++++++++++++++
Tiziano Tuccinardi
PhD Student
Dip. Scienze Farmaceutiche
Via Bonanno, 6
56126 PISA
Tel ++39 050 2219572
E-mail tuccinardi.farm.unipi.it <mailto:tuccinardi.farm.unipi.it>
+++++++++++++++++++++++++++
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Received on Thu Nov 24 2005 - 09:53:00 PST