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Computational immunology : models and tools / edited by Josep Bassaganya-Riera. -- London : Academic Press, c2016. – (58.6911 /C738)

Contents

List of Contributors  ix

Chapter 1 Introduction to Computational Immunology  1

Overview  1

Modeling Tools and Techniques  3

Use Cases Illustrating the Application of Computational Immunology Technologies  4

Acknowledgments  6

References  6

Chapter 2 Computational Modeling  9

Overview on Computational Modeling

Translational Research Iterative Modeling Cycle

Information and Knowledge Extraction from the Literature

Collect New Data and Data from Public Repositories

Model Development

In Silico Experimentation

Validation of Computational Hypotheses and New Knowledge

Considerations on Computational Modeling Technologies

Computational Modeling Tools for Immunology and Infectious Disease Research

Concluding Remarks

Acknowledgments

References

Chapter 3 Use of Computational Modeling in Immunological Research  31

Introduction  31

Computational and Mathematical Modeling of the Immune Response to Helicobacter pylori  32

Inflammatory Bowel Disease  35

ODE Model of CD4 + T-Cell Differentiation  37

T Follicular Helper Cell Differentiation  39

Concluding Remarks  41

Acknowledgments  42

References  42

Chapter 4 Immunoinformatics Cyberinfrastrueture for Modeling and Analytics  45

Introduction  45

Web Portal  46

LabKey-Based Laboratory Information Management System  48

Public Repositories: ImmPort  51

Global Gene Expression Analysis  51

High-Performance Computing Environment  51

HPC Infrastructure for ENISI MSM Modeling  52

CyberInfrastructure for NETwork Science  53

Pathosystems Resource Integration Center  54

Clinical Data Integration  56

Concluding Remarks  59

Acknowledgments  59

Appendix: MIEP Data Uploaded to ImmPort  59

References  60

Chapter 5 Ordinary Differential Equations (ODEs) Based Modeling  63

Introduction  63

Concluding Remarks  77

Acknowledgments  77

References  77

Chapter 6 Agent-Based Modeling and High Performance Computing  79

Introduction and Basic Definitions  79

Related Work  81

Technical Implementation of ENISI  85

Formal Representation of ENISI  86

Agent-Based Modeling Using ENISI  89

Calibration and Validation of the Preliminary Model  95

Sensitivity Analysis for ABM  96

Scaling the Sensitivity Analysis Calculations  98

Scalability and Performance  99

Modeling Study Investigating Immune Responses to H. pylori  102

Concluding Remarks  106

Acknowledgment  106

References      107

Chapter 7 From Big Data Analytics and Network Inference to Systems Modeling  113

Introduction  113

Big Bata Drives Big Models  114

Tools, Techniques, and Pipelines  126

Case Study: Reconstructing the Thl7 Differentiation Network  135

Concluding Remarks  139

Acknowledgments  140

References  140

Chapter 8 Multiscale Modeling: Concepts, Technologies, and Use Cases in Immunology  145

Introduction  145

MSM Concepts and Techniques  146

Sensitivity Analysis  153

MSM of Mucosal Immune Responses  157

Case Study  164

Concluding Remarks  170

Acknowledgment  170

References  170

Chapter 9 Modeling Exercises  175

Modeling Tools  175

Models  176

Model Complexity and Model-Driven Hypothesis Generation  194

Concluding Remarks  199

Acknowledgment  199

References  199