AMBER Archive (2005)

Subject: AMBER: MM_PBSA question

From: Tiziano Tuccinardi (tuccinardi_at_farm.unipi.it)
Date: Thu Nov 24 2005 - 03:01:53 CST

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_at_farm.unipi.it <mailto:tuccinardi_at_farm.unipi.it>
+++++++++++++++++++++++++++

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