[MMTK] MMTK questions

Matias Saavedra matias_saavedra at yahoo.com
Fri Jul 29 18:09:14 CEST 2005


Hi, two simple questions:

1) If i minimize a protein system, i perform a Normal
Modes analysis, and the i make a single mutation in
the already minimized system, to perform a new Normal
Modes analysis... the results of the second analysis,
in terms of deformations energies or amplitudes, are
comparable to the results of the first one? I ask that
because i know that deformation energies and
amplitudes of movement are system-dependent
(qualitative), and can not be directly compared
between diferent systems (proteins)... but what about
a system that have been slightly modified by a single
mutation?

2) Can i use the minimized protein to make a single
mutation and then perform directly a new Normal Modes
analysis without the need of a new minimization step?
(i want to perform several Normal modes analysis in
proteins modified by single mutations, and i want to
avoid the time consuming minimization at each
analysis).

thanks.




		
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