Intro; Preface; Acknowledgements; Contents; About the Author; 1 Introduction; 1.1 Introduction: The Systems Biology Paradigm Shift; 1.2 What Is Computational Modelling?; 1.3 Why Nutrition Needs Modelling; 1.4 Computer Models and Nutrition Research; 1.4.1 Folate Metabolism; 1.4.2 Models of Folate Metabolism; 1.4.3 Cholesterol Metabolism; 1.4.4 Models of Cholesterol Metabolism; 1.5 Can Modelling Unravel the Relationship Between Diet and Healthspan?; 1.6 Exercises; References; 2 Kinetics; 2.1 What Is Kinetics?; 2.2 Deterministic Kinetics and the Law of Mass Action; 2.3 Zero Order Reactions
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2.4 First Order Reactions2.5 Second Order Rate Laws; 2.6 Exercises; References; 3 Enzyme Kinetics; 3.1 Introduction; 3.1.1 Michaelis-Menten Kinetics; 3.1.2 Michaelis Menten (Reversible); 3.2 Enzyme Inhibition; 3.3 The Hill Equation; 3.4 Exercises; References; 4 Model Building: Part One; 4.1 The Steps in Building a Kinetic Model; 4.2 Step One: Identifying a System to Model and Defining a Hypothesis; 4.3 Step Two: Listing the Variables and How They Interact; 4.4 Step Three: Creating a Network Diagram; 4.5 Step Four: Identifying and Using a Software Tool
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4.6 Step Five: Adding Biochemical Reactions4.6.1 Adding a Rate Law Which Does Not Exist in COPASI/CellDesigner; 4.7 Exercises; References; 5 Model Building: Part Two; 5.1 Introduction; 5.2 Step Six: Model Parameterization; 5.3 Step Seven: Model Simulation; 5.4 Step Eight: Validation and Hypothesis Exploration; 5.5 Step Ten: Model Archiving; 5.6 Exercises; References; 6 Model Analysis in Greater Depth; 6.1 Steady State Analysis; 6.2 Phase Space Analysis; 6.3 Parameter Perturbations and Bifurcations; 6.4 The Brusselator and Limit Cycles; 6.5 Identifying the Stability of Larger Models
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6.5.1 Identifying Model Stability Using COPASI6.6 Performing a Local Parameter Scan; 6.7 Metabolic Control Analysis; 6.8 Performing a Sensitivity Analysis; 6.9 Exercises; References; 7 Investigating Cholesterol Metabolism and Its Intersection with Ageing; 7.1 Cholesterol Metabolism: Some Mechanistic Detail; 7.2 Cholesterol Absorption and Ageing; 7.3 Hepatic LDLr and Ageing; 7.4 Cholesterol Biosynthesis; 7.5 Exercises; References; 8 Modelling Folate Metabolism and DNA Methylation; 8.1 Introduction; 8.2 Explore Folate Metabolism and Health; 8.3 Computationally Modelling DNA Methylation
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8.4 Stochastic Modelling DNA Methylation8.5 Rationale for Modelling DNA Methylation Using a Stochastic Framework; 8.6 Exercises; References; Index
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SUMMARY OR ABSTRACT
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This book draws on Mark Mc Auley's wealth of experience to provide an intuitive step-by-step guide to the modelling process. It also provides case studies detailing the creation of biological process models. Mark Mc Auley has over 15 years' experience of applying computing to challenges in bioscience. Currently he is employed as a Senior Lecturer in Chemical Engineering at the University of Chester. He has published widely on the use of computer modelling in nutrition and uses computer modelling to both enhance and enrich the learning experience of the students that he teaches. He has taught computer modelling to individuals at a wide variety of levels and from different backgrounds, from undergraduate nutrition students to PhD and medical students.