XAvier Periole wrote:
Dears,
Anyone knows which parameterization of the Karplus equation
is implemented in g_chi ?
Hm, I'm surprised to see this isn't in the source code with a
please_cite call. My bad, this is at least one of them.
@Article{ Vuister93,
author = "G. W. Vuister and A. Bax",
title ="Quantitative {J} Correlation: A New Approach for
Measuring Homonuclear Three-Bond
{J(H$^N$-H$^{\alpha}$)} Coupling Constants in
{$^{15}$N}-Enriched Proteins",
journal = BTjacs,
year = 1993,
volume = 115,
pages ="7772-"
}
Smith, L.J., Sutcliffe, M.J., Redfield, C., and Dobson, C.M. 1991.
Analysis of φ and χ1 torsion angles for hen lysozyme in solution
from 1H NMR spin–spin coupling constants. Biochemistry, 30:
986–996.
@Article{ LSmith96,
author = "L. J. Smith and K. A. Bolin and H. Schwalbe and
M. W. Mac{A}rthur and J. M. Thornton and
C. M. Dobson",
title ="Analysis of Main Chain Torsion Angles in Proteins:
Prediction of {NMR} Coupling Constants for Native
and Random Coil Conformations",
journal = BTjmb,
year = 1996,
volume = 255,
pages ="494-506"
}
Best,
XAvier.
XAvier Periole
MD-group
University of Groningen
The Netherlands
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