Numerical computer methods. Pt. D / edited by Ludwig Brand, Michael L. Johnson. -- (Methods in enzymology ; v.383). -- Elsevier, 2004. -- (58.17435/C719/v.383/pt.D)

Contents:

1. Prediction of Protein Structure  1

2. Modeling and Studying Proteins with Molecular Dynamics  28

3. Ab Initio Protein Folding Using LINUS  48

4. Protein Structure Prediction Using Rosetta  66

5. Poisson-boltzmann Methods for biomolecular Electrostatics  94

6. Atomic Simulations of Protein Folding, Using the Replica Exchange Algorithm  119

7. DNA Microarray Time Series Analysis: Automated Statistical Assessment of Circadian Rhythms in Gene Expression Patterning  166

8. Molecular simulations of Diffusion and Association in Multimacromolecular Systems  166

9. Modeling Lipid-Sterol Bilayers: Applications to Structural Evolution, Lateral Diffusion and Rafts  198

10. Idealization and Simulation of Single Ion Channel Data  229

11. Statistical Error in Isothermal Titration Calorimetry  245

12. Analysis of Circular Dichroism Data  282

13. Computation and Analysis of Protein Circular Dichroism spectra  318

14. Model Comparison Methods  351

15. Pratical Robust Fit of Enzyme Inhibition Data  366

16. Measuring Period of Human Biological Clock: Infill Asymptotic Analysis of Harmonic Regression Parameter Estimates  382

17. Bayesian Methods to Improve Sample Size Approximations  406

18. Distribution Functions from Moments and the Maximum-Entropy Method  427