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Final Gilson edit; also bump version number.
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davidlmobley committed Aug 4, 2017
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6 changes: 3 additions & 3 deletions paper/benchmarkset.tex
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%PUT MANUSCRIPT VERSION HERE
% Use this style for ongoing development: "Version 1.0.5 pre-release"
% Use this style for releases: "Version 2.0"
{\bf Manuscript version 1.2 pre-release.} See \url{https://github.com/mobleylab/benchmarksets} for all versions.
%{\bf Manuscript version 1.1.4.} See \url{https://github.com/mobleylab/benchmarksets} for all versions.
%{\bf Manuscript version 1.2 pre-release.} See \url{https://github.com/mobleylab/benchmarksets} for all versions.
{\bf Manuscript version 1.2.} See \url{https://github.com/mobleylab/benchmarksets} for all versions.
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%PUT AR COPYRIGHT INFO HERE
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\end{tabular} \\
\end{center}
$^{\rm a}$ Obtained using Alphascreen; $^{\rm b}$ Obtained using Isothermal Titration Calorimetry; $^{\rm c}$ not determined; $^{\rm d}$ Non-binder (inactive at 250$\mu$M); $^{\rm e}$ PubChem compound ID.; $^{\rm f}$ No saturation (32\% inhibition at 250$\mu$M).
Experimental values for cases $^{\rm d}$ and $^{\rm f}$ may not be as high quality as could be desired; however, these cases can still serve very well for method validation when comparison against experiment is a more minor consideration.
Experimental values for cases $^{\rm d}$ and $^{\rm f}$ may not be as reliable as required for detailed evaluation of computational accuracy, but they are nonetheless of interest as at least qualitatively informative cases. In addition, they may be useful in studies aimed at methodological validation and evaluating conformational sampling.
\end{table*}
\endgroup

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