AMBER Archive (2006)

Subject: AMBER: dummy atoms in MMPBSA

From: Andrea Bortolato (andrea.bortolato.1_at_unipd.it)
Date: Thu Jul 27 2006 - 03:10:50 CDT

Dear all,

I am doing TI and MMPBSA studies on a set of inhibitors.

I was wondering if the presence of dummy atoms (necessary for the TI) can
influence the results of MMPBSA study, for example the solvent-accessible-surface-area.

Many thanks,
Andrea Bortolato

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Andrea Bortolato, Ph.D. Student

Molecular Modeling Section
Department of Pharmaceutical Sciences
University of Padova,
Via Marzolo, 5
35131 Padova - ITALY
Phone: +39-049-8275801
Fax: +39-049-8275366 or +39-049-8275704
e-mail:andrea.bortolato.1_at_unipd.it
Webpage URL http://mms.dsfarm.unipd.it
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