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.unipd.it
Webpage URL
http://mms.dsfarm.unipd.it
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Received on Sun Jul 30 2006 - 06:07:08 PDT
