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1.

Book

Book
James F. Rusling, Thomas F. Kumosinski
Published: San Diego : Academic Press, c1996  xv, 268 p. ; 24 cm
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General Introduction to Regression Analysis / Part I:
Introduction to Nonlinear Modeling of Data: What is Nonlinear Modeling? Objectives of this Book
Anayzing Data with Regression Analysis: Linear Models
Nonlinear Regression Analysis
Sources of Mathematics Software Capable of Linear and Nonlinear Regression
Building Models for Experimental Data: Sources of Data and Background Contributions
Examples of Model Types
Finding the Best Models
Correlation Between Parameters and Other Convergence Problems: Correlations and How to Minimize Them
Avoiding Pitfalls in Convergence
Selected Applications / Part II:
Titrations: Introduction
Macromolecular Equilibria and Kinetics: Linked Thermodynamic Models: The Concept of Linked Functions
Applications of Thermodynamic Linkage
Secondary Structure of Proteins by Infrared Spectroscopy: Introduction
Analysis of Spectra--Examples
Nuclear Magnetic Resonance Relaxation: Fundamentals of NMR Relaxation
Applications from NMR in Solution
Applications from NMR in the Solid State
Small-Angle X-Ray Scattering (SAXS) of Proteins: Theoretical Considerations
Applications
Ultracentrifugation of Macromolecules: Sedimentation
Voltammetric Methods: General Characteristics of Voltammetry
Steady State Voltammetry
Cyclic Voltammetry
Square Wave Voltammetry
Chronocoulometry: Basic Principles
Estimation of Diffusion Coefficients
Surface Concentrations of Adsorbates from Double Potential Steps
Rate Constant for Reaction of a Product of an Electrochemical Reaction
Automated Resolution of Multiexponential Decay Data: Considerations for Analyses of Overlapped Signals
Automated Analysis of Data with an Unknown Number of Exponentials
Chromatography and Multichannel Detection Methods: Overlapped Chromatographic Peaks with Single-Channel Detection
Multichannel Detection
Appendix
Subject Index
General Introduction to Regression Analysis / Part I:
Introduction to Nonlinear Modeling of Data: What is Nonlinear Modeling? Objectives of this Book
Anayzing Data with Regression Analysis: Linear Models
2.

Book

Book
Thomas F. Kumosinski, editor, Michael N. Liebman, editor
Published: Washington, DC : American Chemical Society, 1994  xii, 516 p. ; 24 cm
Series: ACS symposium series ; 576
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Molecular Modeling: From Virtual Tools to Real Problems / M.N. Liebman
Reliability of X-Ray Crystallographic Structures / R. Bott
Determining the Solution Conformation of Receptor-Bound Ligands by NMR: A Transferred Nuclear Overhauser Effect Study ofthe Peptidyl Prolyl Cis-Trans Isomerase Cyclophilin and a Model Substrate / L.T. Kakalis ; I.M. Armitage
Modeling / L. L. France ; P.G. Piatti ; I. Toth ; J.F. E. Newman ; F. Brown
Biologically Relevant Peptides Using Circular Dichroism with Synchrotron
Radiation, and High Temperature Molecular Dynamics
Protein Secondary Structure Determination Using Vibrational Circular Dichroism / T. A. Keiderling ; P. Pancoska ; V. Baumruk ; M. Urbanova ; V.P. Gupta ; R.K. Dukor ; D. Huo
Global Secondary Structure Analysis of Proteinsin Solution by Resolution Enhanced Deconvolution Fourier Transform Infrared / T. F. Kumosinski ; J.J. Unruh
Spectroscopy in Water
Molecular Modeling of Apolipoprotein A-I Using a Template Derived from the Crystal Structure of Apolipophorin III / E.M. Brown ; T.F. Kumosinski ; H.M. Farrell, Jr.
Testing an FTIR-Consistent Model of the Soluble Domain of Human Tissue Factor / J.B. A. Ross ; C.A. Hasselbacher ; G. King ; T.M. Laue ; A. Guha ; Y. Nemerson ; W.H. Konigsberg ; E. Rusinova ; E. Waxman
Computer-Generated Working Models of a-Crystallin Subunits and Their Complex / P.N. Farnsworth ; B. Groth-Vasselli
The Three-Dimension Energy-Minimized Model of the Human Type II "Smith" Collagen Microfibril / J. M. Chen ; A. Sheldon
Calculations of Association Free Energies: Separationof Electrostatic and Hydrophobic Contributions / R. A. Barford
Structure-Function Analysis of Amino Acid Substitution in Proteins / N.G. Jiwani
Comparison of Spiral Structures in Wheat High-Molecular-Weight Glutenin Subunits and Elastin by Molecular Modeling / D.D. Kasarda
Modeling Biological Pathways: A Discrete Event Systems Approach / V. N. Reddy ; M. L. Mavrovouniotis
Inhibitor Induced Structural Changes in Serine Proteases Monitored by FTIR Spectroscopy
Spectroscopy and Molecular Modeling of Electrochemically Active Films of Myoglobin and Didodecyldimethylammonium Bromide / J.F. Rusling ; A.-E. F. Nassar
Molecular Dynamics and NMR Studies of Concentrated Electrolytes and Dipoles in Water / I.C. Baianu ; E.M. Ozu ; T.C. Wei
Molecular Dynamics and Multinuclear Magnetic Resonance Studies of Zwitterions and Proteins in Concentrated Solutions
NMR and Molecular Modeling Evidence for the Entrapment of Water in a Simple Carbohydrate Complex / P. Irwin ; T. Kumosinski ; P. Pieffer ; J. Klein ; L. Doner
Structure-Serologic Relationships of the Immunodominant Site of Foot-and-Mouth Disease Virus
A Predicted Energy Minimized asl-Casein Working Model / E. M. Brown
Three-Dimensional Molecular Modeling of Bovine Caseins: An Energy Minimized Submicelle Structure / H.M. Farrell, Jr
Molecular Dynamics of Salt Interactions with Peptides, Fibrous Proteins and Casein
Application of a Probabilistic Approachto the NMR-Based Determination of Accurate Local Conformation and 3D-Structureof Proteins in Solution / L. Kar ; S. A. Sherman ; M.E. Johnson
Structural Elements Involved in the Allosteric Switch in Mammalian Pyruvate Kinase / T.G. Consler ; J.C. Lee
Representing Biochemistry for Modeling Organisms / T. Kazic
Molecular Modeling: From Virtual Tools to Real Problems / M.N. Liebman
Reliability of X-Ray Crystallographic Structures / R. Bott
Determining the Solution Conformation of Receptor-Bound Ligands by NMR: A Transferred Nuclear Overhauser Effect Study ofthe Peptidyl Prolyl Cis-Trans Isomerase Cyclophilin and a Model Substrate / L.T. Kakalis ; I.M. Armitage
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