[MMTK] MMTK beguinner
matomatias at hotmail.com
Tue Apr 19 15:29:14 CEST 2005
Ok i get the idea. So i think that deformation energy is the usefull
magnitude for the analysis i want to carry out. I want to determine the
flexibility in the active site of several proteins.
So a simple question arises:
The problem of the scaling factor for the results of fluctuations applies to
energy deformations as well? Or the energy deformations magnitudes
calculated with the CalphaForceField can be used directly?
The simplification of the system by considering only Calpha carbons is
sensible enough to detect changes in flexibility produced by point (single)
mutations? or should i use for that purpose the complete Amber94 analysis?
Thanks a lot for your concern.
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