Greetings All:
I have some question concerning the parameters distributed from:
ambermd.org/downloads/f99SBildn.tar
These parameters are to match the work done by Hornak et al (2006,
Proteins 65:712) for the backbone then extended by Lindorff-Larsen (2010
/Proteins,/ *78:*1950) to include deviant chi-1/chi-2 torsions on I, L,
D and N.
Has anyone done some validation of these parameters versus the
supplemental material in Lindorff-Larsen et al. (2010 /Proteins,/
*78:*1950)? Specifically, if you lock the phi/psi at -135,135 (as
specified in the paper) for the various capped amino acids (I, L, D and
N), then vary the chi's as per the provided supplemental information,
has anyone replicated the E(chi-1, chi-2) plots seen in the
supplementary data?
-- Den
--
any problem worth attack
proves its worth by fighting back
Piet Heins "Grooks"
D.G. Sprous, PhD
BioLeap Inc.
Cambridge MA 02141
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Received on Tue Oct 11 2011 - 05:30:02 PDT
