Numerical computer methods

著者

• Brand, Ludwig
• Johnson, Michael L.

書誌事項

Numerical computer methods

edited by Ludwig Brand, Michael L. Johnson

（Methods in enzymology / editors in chief, Sidney P. Colowick, Nathan O. Kaplan, v. 210, 240, 321, 383-384）

Academic Press, c1992-

• [pt. A]
• pt. B
• pt. C
• pt. D
• pt. E

注記

Pts. D-E: publisher changed to Elsevier Academic Press

Includes bibliographical references and indexes

内容説明・目次

巻冊次

[pt. A] ISBN 9780121821111

内容説明

The aim of this volume is to brief researchers of the importance of data analysis in enzymology, of the modern methods that have developed concomitantly with computer hardware, and of the need to validate their computer programs with real and synthetic data to ascertain that the results produced are what they expected.

目次

Parameter Estimation by Least-Squares Methods. Global Analysis of Biochemical and Biophysical Data. Pad*aae*b1Laplace Algorithm for Sums of Exponentials: Selecting Appropriate Exponential Model and Initial Estimates for Exponential Fitting. Use of Weighting Functions in Data Fitting. Analysis of Residuals: Criteria for Determining Goodness-of-Fit. Analysis of Ligand-Binding Data with Experimental Uncertainties in Independent Variables. Monte Carlo Method for Determining Complete Confidence Probability Distributions of Estimated Model Parameters. Singular Value Decomposition: Application to Analysis of Experimental Data. Fourier Resolution Enhancement of Infrared Spectral Data. Maximum Likelihood Analysis of Fluorescence Data. Method of Moments and Treatment of Nonrandom Error. Laplace Deconvolution of Fluroescence Decay Surfaces. Interpolation Methods. Compartmental Analysis of Fluorescence Decay Surfaces of Excited-State Processes. Analysis of Discrete, Time-Sampled Data Using Fourier Series Method. Alternatives to Consider in Fluorescence Decay Analysis. Practical Aspects of Kinetic Analysis. Compartmental Analysis of Enzyme-Catalyzed Reactions. Analysis of Site-Specific Interaction Parameters in Protein*b1DNA Complexes. Analysis of Circular Dichroism Spectra. Fluorescence Quenching Studies: Analysis of Nonlinear Stern*b1Volmer Data. Simultaneous Analysis for Testing of Models and Parameter Estimation. Numerical Analysis of Binding Data: Advantages, Practical Aspects, and Implications. Deconvolution Analysis for Pulsed-Laser Photoacoustics. Parameter Estimation in Binary Mixtures of Phospholipids. Deconvolution Analysis of Hormone Data. Dynamic Programming Algorithms for Biological Sequence Comparison. Programs for Symbolic Mathematics in Biochemistry. Artificial Neural Networks. Fractal Applications in Biology: Scaling Time in Biochemical Networks. Author Index. Subject Index.

巻冊次

pt. B ISBN 9780121821418

内容説明

The contributions in this volume emphasize numerical analysis of experimental data and analytical biochemistry, with examples taken from biochemistry. They serve to inform biomedical researchers of the modern data analysis methods that have developed concmitantly with computer hardware.

目次

M.L. Johnson, Use of Least-Squares Techniques in Biochemistry.D.G. Watts, Parameter Estimates from Nonlinear Models.R.D. Abbott and H.P. Gutgesell, Effects of Heteroscedasticity and Skewness on Prediction in Regression: Modeling Growth of the Human Heart. M.L. Johnson and M. Lampl, Artifacts of Fourier Series Analysis.S.M. Pincus, Quantification of Evolution from Order to Randomness in Practical Time Series Analysis.M. Straume, Sequential versus Simultaneous Analysis of Data: Differences in Reliability of Derived Quantitative Conclusions.M. Straume, J.D. Veldhuis, and M.L. Johnson, Model-Independent Quantification of Measurement Error: Empirical Estimation of Discrete Variance Function Profiles Based on Standard Curves.L.-J. Hwang, Impact of Variance Function Estimation in Regression and Calibration.E.N. Brown and C.H. Schmid, Application of the Kalman Filter to Computational Problems in Statistics.R.I. Shrager, Modeling Chemical Reactions: Jacobian Paradigm and Related Issues.G.B. Ermentrout, The Mathematics of Biological Oscillators.J. Kasba and J.R. Lakowicz, Diffusion-Modulated Energy Transfer and Quenching: Analysis by Numerical Integration of Diffusion Equation in Laplace Space.J.-C. Brochon, Maximum Entropy Method of Data Analysis in Time-Resolved Spectroscopy.C. Frieden, Analysis of Kinetic Data: Practical Applications of Computer Simulation and Fitting Programs.D.J. OShannessy, M. Brigham-Burke, K.K. Soneson, P. Hensley, and I. Brooks, Determination of Rate and Equilibrium Binding Constants for Macromolecular Interactions by Surface Plasmon Resonance.J.D. Veldhuis, L.M. Faunt, and M.L. Johnson, Analysis of Nonequilibrium Dynamics of Bound, Free, and Total Plasma Ligand Concentrations over Time Following Nonlinear Secretory Inputs: Kinetics of Two or More Hormones Pulsed into Compartments Containing Multiple Variable-Affinity Binding Proteins.J.D. Veldhuis and M.L. Johnson, Testing Pulse Detection Algorithms with Simulations of Episodically Pulsatile Substrate, Metabolite, or Hormone Release.J.W. Shriver and S. Edmondson, Error Analysis of Macromolecular Structures Determined with Nuclear MagneticResonance Data.C.B. Post, Characterization of Enzyme-Complex Formation by Analysis of Nuclear Magnetic Resonance Line Shapes.C.A. Bush, Computer Simulations of Nuclear Overhauser Effect Spectra of Complex Oligosaccharides.I. Brooks, D.G.Watts, K.K. Soneson, and P. Hensley, Determining Confidence Intervals for Parameters Derived from Analysis of Equilibrium Analytical Ultracentrifugation Data.W.F. Stafford, III, Boundary Analysis in Sedimentation Velocity Experiments.E. Freire, Statistical Thermodynamic Analysis of Differential Scanning Calorimetry Data: Structural Deconvolution of Heat Capacity Function of Proteins.M. Straume, Analysis of Two-Dimensional Differential Scanning Calorimetry Data: Elucidation of Complex Biomolecular Energetics.I.P. Sugar, R.L. Biltonen, and N. Mitchard, Monte Carlo Simulations of Membranes: Phase Transition of Small Unilamellar Dipalmitoylphosphatidylcholine Vesicles.J.J. Correia and J.B. Chaires, Analysis of Drug-DNA Binding Isotherms: A Monte Carlo Approach.G.D. Ramsay and M.R. Eftink, Analysis of Multidimensional Spectroscopic Data to Monitor Unfolding of Proteins.B. Garcia-Moreno, Estimating Binding Constants for Site-Specific Interactions between Monovalent Ions and Proteins.J.A. Schetz, Pattern Recognition Metric for Comparison of Protein Structures Based on Amino Acid Sequences.H. Szmacinski, J.R. Lakowicz, and M.L. Johnson, Fluorescence Lifetime Imaging Microscopy: Homodyne Technique Using High-Speed Gated Image Intensifier.E.M. Sevick-Muraca, Computations of Time-Dependent Photon Migration for Biomedical Optical Imaging.C.G. Hocker, Applying Bifurcation Theory to Enzyme Kinetics.Author Index.Subject Index.

巻冊次

pt. C ISBN 9780121822224

内容説明

The critically acclaimed laboratory standard for more than forty years, Methods in Enzymology is one of the most highly respected publications in the field of biochemistry. Since 1955, each volume has been eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with more than 300 volumes (all of them still in print), the series contains much material still relevant today--truly an essential publication for researchers in all fields of life sciences.

巻冊次

pt. D ISBN 9780121827885

内容説明

The aim of Numerical Computer Methods, Part D 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.

目次

Editors-In-Chief Contributors to Volume 383 Preface Methods In Enzymology Prediction of Protein Structure Overview and Perspective Classifications of Protein Structure Concepts and Evaluations of Protein Predictions Process of Extracting Information about Protein Structure from Sequence Future Directions Modeling and Studying Proteins with Molecular Dynamics Introduction Sampling of CHARMM Capabilities Program Operation Basics Example Analysis Ab Initio Protein Folding Using LINUS Introduction Anatomy of LINUS Simulation Implementation Simulation Examples Conclusion Appendix I Protein Structure Prediction Using Rosetta Introduction Rosetta Strategy De Novo Structure Prediction with Rosetta Structure Prediction by Fragment Assembly Enhancements of Fragment Insertion Strategy Effectiveness of Conformation Modification Operators for Energy Function Optimization Conclusions Supplemental Materials Appendix I Appendix II Poisson-Boltzmann Methods for Biomolecular Electrostatics Introduction Numerical Solution of Poisson-Boltzmann Equation Applications to Biomedical Sciences Conclusions Atomic Simulations of Protein Folding, Using the Replica Exchange Algorithm Introduction Replica Exchange Molecular Dynamics Practical Issues Appendix DNA Microarray Time Series Analysis: Automated Statistical Assessment of Circadian Rhythms in Gene Expression Patterning Introduction Statistical Assessment of Daily Rhythms in Microarray Data Simulation Procedure Comparisons of Analytical Results Summary Molecular Simulations of Diffusion and Association in Multimacromolecular Systems Introduction Theoretical Aspects Practical Aspects Some Example Applications Conclusion Modeling Lipid-Sterol Bilayers: Applications to Structural Evolution, Lateral Diffusion, and Rafts Introduction Theoretical Models Simulation Methods Results Summary and Perspectives Idealization and Simulation of Single Ion Channel Data Introduction Noise Filtering Missed Events Subconductance Levels Models Analysis Methods Simulation Idealization Interpretation Performance Statistical Error in Isothermal Titration Calorimetry Introduction Variance-Covariance Matrix in Least Squares Monte Carlo Computational Methods Van't Hoff Analysis of KA Degrees(T): Least-Squares Demonstration Isothermal Titration Calorimetry Calorimetric Versus Van't Hoff I"HA Degrees from ITC Conclusion Analysis of Circular Dichroism Data Introduction Summary of Methods to Obtain Secondary Structure of Proteins from Circular Dichroism Data Determination of Thermodynamics of Protein Folding/Unfolding from CD Data Determination of Binding Constants from CD Data Conclusion Appendix I Computation and Analysis of Protein Circular Dichroism Spectra Introduction Basic Definitions Computation of Protein CD Analysis of Protein CD Model Comparison Methods Introduction Statistical Foundations of Model Comparison Model Comparison Methods Model Comparison at Work Conclusion Practical Robust Fit of Enzyme Inhibition Data Introduction Theory Numerical Example Implementation Notes Conclusions Measuring Period of Human Biological Clock: Infill Asymptotic Analysis of Harmonic Regression Parameter Estimates Introduction Theory Proof Proof Proof Data Analysis Discussion Appendix I: Outline of Proof of Proposition 1 Appendix II: Proof of Lemma 1 Appendix III: Proof of Lemma 2 Bayesian Methods to Improve Sample Size Approximations Introduction Bayesian Inference Deriving Sample Size Formulas Choosing Prior Distributions Gain from Using Prior Information Examples Conclusion Distribution Functions from Moments and the Maximum-Entropy Method Introduction Ligand Binding: Moments Maximum-Entropy Distributions Ligand Binding: Distribution Functions Enthalpy Distributions Self-Association Distributions Author Index Subject Index

巻冊次

pt. E ISBN 9780121827892

内容説明

The contributions in this volume emphasize analysis of experimental data and analytical biochemistry, with examples taken from biochemistry. They serve to inform biomedical researchers of the modern data analysis methods that have developed concomitantly with computer hardware.

「Nielsen BookData」 より

詳細情報

• NII書誌ID(NCID): BA14336557
• ISBN:
  • 0121821110
  • 0121821412
  • 0121822222
  • 0121827887
  • 0121827895
• 出版国コード: us
• タイトル言語コード: eng
• 本文言語コード: eng
• 出版地: San Diego, Calif. ; Tokyo
• ページ数/冊数: v.
• 大きさ: 24 cm
• 分類:
  • NLM : W1
• 件名:
  • MESH : Biochemistry -- Methods
  • MESH : Mathematical Computing
  • MESH : Statistics
• 親書誌ID:
  • BA00197543