Maximum Entropy Analysis of Kinetic Processes Involving Chemical and Folding–Unfolding Changes in Proteins
✍ Scribed by Isabel M. Plaza del Pino; Antonio Parody-Morreale; Jose M. Sanchez-Ruiz
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 350 KB
- Volume
- 244
- Category
- Article
- ISSN
- 0003-2697
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✦ Synopsis
the number of peaks), together with their amplitudes (from the peak areas), time constant values (from the We show that numerical inversion of the Laplace transform by using the maximum entropy method can peak positions), and associated Monte Carlo uncertainties. On the other hand, recent theoretical studies be successfully applied to the analysis of complex kinetic processes involving chemical and folding-un-describe protein folding kinetics in terms of the protein energy landscape (the multidimensional surface folding changes in proteins. First, we present analyses of simulated data which support that: (i) the maximum of energy versus conformational degrees of freedom), emphasize the difficulty in defining a single reaction entropy calculation of rate distributions, combined with Monte Carlo analyses of the associated uncertain-coordinate for folding, and point out that individual chains may fold by multiple pathways. This indicates ties, yields results consistent with the information actually supplied by the data, thus preventing their over-that, in some cases at least, folding kinetics might have to be described in terms of broad rate distributions interpretation; (ii) maximum entropy analysis may be used to extract discrete rates (corresponding to indi-(rather than in terms of a small number of discrete exponential contributions related to kinetic steps be-vidual exponential contributions), as well as broad rate distributions (provided, of course, that the ade-tween well-defined protein states). We suggest that the maximum entropy procedures described in this work quate information is supplied by the data). We further illustrate the applicability of the maximum entropy may provide a method to detect this situation and to derive such broad rate distributions from experimen-analysis with experimental data corresponding to two nontrivial model processes: (a) the kinetics of chemical tal data. ᭧ 1997 Academic Press modification of sulfhydryl groups in glycogen synthase by reaction with Ellman's reagent; (b) the kinetics of folding of ribonuclease a under strongly folding conditions, as monitored by fluorescence and optical ab-