Numerical computer methods. Part D [electronic resource] / edited by Ludwig Brand, Michael L. Johnson.

Includes bibliographical references and indexes.

Prediction of protein structure / Robert H. Kretsinger, Roger E. Ison, and Sven Hovmo�I�ller -- Modeling and studying proteins with molecular dynamics / Robert Schlef -- Ab Initio protein folding using LINUS / Rajgopal Srinivasan, Patrick J. Flemming and George D. Rose -- Protein structure prediction using rosetta / Carol A. Rohl ... [et al.] -- Poisson-Boltzmann methods for biomolecular electrostatics / Nathan A. Baker -- Atomic simulations of protein folding using the replica exchange algorithm / Hugh Nymeyer, S. Gnanakaran, and Angel E. Garci�I�a -- DNA microarray time series analysis: automated statistical assessment of circadian rhythms in gene expression patterning / Martin Straume -- Molecular simulations of diffusion and association in multimacromolecular systems / Adrian H. Elcock -- modeling lipid-sterol bilayers: applications to structural evolution, lateral diffusion and rafts / Martin J. Zuckermann ... [et al.] -- Idealization and simultation of single ion channel data / Antonius M.J. VanDongen -- Statistical error in isothermal titration calorimetry / Joel Tellinghuisen -- Analysis of circular dichroism data / Norma J. Greenfield -- Computation and analysis of protein circular dichroism spectra / Narasimha Sreerama and Robert W. Woody -- Model comparison methods / Jay I. Myung and Mark A. Pitt -- Practical robust fit of enzyme inhibition data / Petr Kuzmic�I,� Craig Hill, and James W. Janc -- Measuring period of human biological clock: infill asymptomatic analysis of harmonic regression parameter estimates / Emery N. Brown ... [et al.] -- Bayesian methods to improve sample size approximations / Christopher H. Schmid, Joseph C. Cappelleri, and Joseph Lau -- Distribution functions from moments and the maximum-entropy method / Douglas Poland.

The aim of this volume is to brief researchers of the importance of data analysis in enzymology, and of the modern methods that have developed concomitantly with computer hardware. It is also to validate researchers' computer programs with real and synthetic data to ascertain that the results produced are what they expected. Selected Contents: Prediction of protein structure; modeling and studying proteins with molecular dynamics; statistical error in isothermal titration calorimetry; analysis of circular dichroism data; model comparison methods.