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MemExp Documentation

Peter J. Steinbach
Center for Molecular Modeling
Center for Information Technology
National Institutes of Health

Recovering Distributed Lifetimes and Discrete Exponentials from Kinetics
Documentation for MemExp version 1.0

The program MemExp uses the maximum entropy method (MEM) and nonlinear least squares (NLS) fitting to analyze a general time-dependent signal in terms of distributed and discrete lifetimes. One or two distributions of effective log-lifetimes, $g(log \tau)$ and $h(log \tau)$, plus an optional polynomial baseline (up to a cubic) can be extracted from the data. The h distribution is used to account for signals opposite in sign to those described by the g distribution when analyzing data that rise and fall. Both distributions are obtained numerically from the data and are not restricted to any functional form. Simulataneously, MemExp performs a series of fits by discrete exponentials in which exponentials are added one at a time and are initialized based on the emerging structure in the MEM distribution. The amplitude and log-liftime of each exponential, plus any optional baseline parameters utilized, are varied using nonlinear least-squares (NLS) fitting. MemExp automatically recommends one distributed and one discrete description of the kinetics as optimal. The graphical summary plotted by MemExp permits a thorough evalutaion of the results. Multiple MEM `priors' are supported, facilitating a comprehensive analysis of the kinetics data.

MemExp was written in FORTRAN-77 and has been built under several operating systems. Graphical output is in PostScript format.

Reference: Please read the following paper before using MemExp and reference it when publishing results obtained using MemExp.
P.J. Steinbach, R. Ionescu, and C.R. Matthews. Analysis of Kinetics using a Hybrid Maximum-Entropy / Nonlinear-Least-Squares Method: Application to Protein Folding. (2002) Biophys. J. 82: 2244-2255.

The most up-to-date version of this documentation can be downloaded in PostScript format.
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Steinbach 2002-04-09