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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