11 Chapter 11Figure 11.1 Gene(s) to proteoforms. This figure illustrates the complexity of ...Figure 11.2 Quadrupole mass analyzer. Schematic of a quadrupole mass analyzer,...Figure 11.3 Time of flight (TOF) mass analyzer. Schematic of a TOF mass analyz...Figure 11.4 (a) Tandem mass spectrometry (MS). Schematic of a triple quadrupol...Figure 11.5 Fragmentation tandem mass spectrometry (MS/MS, or MS2) spectrum. A...Figure 11.6 Polypeptide backbone cleavage produces different product ion speci...Figure 11.7 Post-translational modifications (PTMs) take place at different am...Figure 11.8 Data pre-processing workflow of a mass spectrum. Different steps i...Figure 11.9 Shotgun proteomics workflow. Schematic showing different steps inv...Figure 11.10 A schematic diagram comparing the label-free approach with the di...Figure 11.11 Peptide mass fingerprinting (PMF) workflow. Schematic showing dif...Figure 11.12 Mascot peptide mass fingerprinting (PMF). PMF submission screen a...Figure 11.13 Peptide sequencing via tandem mass spectrometry (MS/MS) spectra i...Figure 11.14 Peptide sequence tag searching. Schematic illustrating how a sequ...Figure 11.15 Peptide spectrum match (PSM). Annotated MS2 spectrum showing matc...Figure 11.16 Mascot search engine. Mascot MS2 database search submission windo...Figure 11.17 Proteomics. A broad classification of proteomics and the biologic...
12 Chapter 12Figure 12.1 A flow diagram illustrating the steps used to experimentally prepa...Figure 12.2 An example of a nuclear magnetic resonance (NMR) “blurrogram” of a...Figure 12.3 The different levels of protein structures illustrating: (a) prima...Figure 12.4 Examples of different types of protein folds including (a) the fou...Figure 12.5 An illustration of standard amino acid residue and peptide bond ge...Figure 12.6 An example of a Protein Data Bank formatted file showing the first...Figure 12.7 A Ramachandran plot for the thioredoxin protein (Protein Data Bank...Figure 12.8 A screenshot of the Research Collaboratory for Structural Bioinfor...Figure 12.9 A screenshot of an image of Escherichia coli thioredoxin as genera...Figure 12.10 An illustration of the four major approaches to rendering protein...Figure 12.11 An example of the high-quality images that can be created using a...Figure 12.12 An illustration of a homology model (b) of Escherichia coli thior...Figure 12.13 A schematic illustration of how threading is performed. (a) A que...Figure 12.14 An example of the high-quality postscript output data from PROCHE...Figure 12.15 An example of the CATH database description of Escherichia coli t...
13 Chapter 13Figure 13.1 The Reactome database pathway view. The central view shows pathway...Figure 13.2 The EcoCyc database cellular overview of Escherichia coli metaboli...Figure 13.3 An example of metabolic pathway reconstruction from Kyoto Encyclop...Figure 13.4 A BioGRID database record. A screenshot of the result page for a B...Figure 13.5 An IntAct database search for the human MDM2 gene. A summary of al...Figure 13.6 An example of the main STRING query result page. A network of rela...Figure 13.7 A query result from GeneMANIA. Each node in the network represents...Figure 13.8 The AKT pathway as represented by a traditional method (top left, ...Figure 13.9 The main components of the Proteomics Standards Initiative–Molecul...Figure 13.10 The valine biosynthesis pathway dynamically drawn by the Pathway ...Figure 13.11 Output from the PathVisio software showing a portion of a human c...Figure 13.12 The set of symbol types available in the Systems Biology Graphica...Figure 13.13 The Drosophila melanogaster cell cycle drawn using Systems Biolog...Figure 13.14 The results of pathway enrichment analysis using the g:Profiler t...Figure 13.15 A Gene Set Enrichment Analysis (GSEA) enrichment figure. The bott...Figure 13.16 An enrichment map showing two enriched themes. Each node represen...Figure 13.17 An introduction to terminology and visual notation used in the co...Figure 13.18 Zooming in on a network in Cytoscape shows part of a large connec...Figure 13.19 An overview of a pathway analysis workflow, summarizing multiple ...
14 Chapter 14Figure 14.1 A diagram illustrating the typical workflow for a metabolomic expe...Figure 14.2 An example of a Molecular Design Limited (MDL) chemical fingerprin...Figure 14.3 An example of a MOL file for a two-dimensional representation of L...Figure 14.4 An example of an nmrML data file for L-alanine. The actual file is...Figure 14.5 The JSpectraViewer image for L-alanine. JSpectraViewer is a Java a...Figure 14.6 A selection of two screenshots from the PubChem web pages for the ...Figure 14.7 Two screenshots of the gas chromatography–mass spectrometry (GC-MS...Figure 14.8 Two screenshots from the Human Metabolome Database (HMDB) entry fo...Figure 14.9 A simplified illustration of how spectral deconvolution works for ...Figure 14.10 Two screenshots of the Bayesil web server. (a) A nuclear magnetic...Figure 14.11 An illustration of how spectral deconvolution works for gas chrom...Figure 14.12 An illustration of how principal component analysis can be though...Figure 14.13 A three-dimensional principal component analysis (PCA) “scores” p...Figure 14.14 The MetaboAnalyst Module Overview page. This page allows users to...Figure 14.15 The MetaboAnalyst Data Upload page. This page allows users to upl...Figure 14.16 The MetaboAnalyst Data Normalization page. The optimal normalizat...Figure 14.17 The MetaboAnalyst Data Normalization and Scaling results, generat...Figure 14.18 A two-dimensional principal component analysis (PCA) “scores” plo...Figure 14.19 The principal component analysis (PCA) “loadings” plot, showing t...Figure 14.20 The partial least squares discriminant analysis (PLS-DA) plot sho...Figure 14.21 An example of an R2/Q2 plot generated by MetaboAnalyst using the ...Figure 14.22 A variable importance in projection plot showing which metabolite...Figure 14.23 A pathway impact plot showing the importance of different pathway...
15 Chapter 15Figure 15.1 Principal components analysis (PCA) of nine world populations and ...Figure 15.2 The coalescent process. Although the ancestral population contains...Figure 15.3 Multiple sequentially Markovian coalescent (MSMC) estimate of popu...Figure 15.4 Admixture analysis of nine populations and three test samples. Ind...Figure 15.5 A Manhattan plot of Composite of Multiple Signals (CMS) scores (Y-...
16 Chapter 16Figure 16.1 General workflow for DNA-based microbiome analysis.Figure 16.2 FastQC summary of DNA sequence read quality for an Illumina sequen...Figure 16.3 Primary structure and variable regions of the 16S ribosomal RNA ge...Figure 16.4 k-mer decomposition of a nucleotide sequence with k = 2. Two seque...Figure 16.5 Rarefaction curves for microbial communities sampled from six diff...Figure 16.6 Unweighted phylogenetic alpha- and beta-diversity measures. Left: ...Figure 16.7 Principal coordinate analysis (a) vs. non-metric multidimensional ...Figure 16.8 Visualizing the differences between two groups of gut microbiome s...
17 Chapter 17Figure 17.1 ClinVar entry for a benign variant in the cystic fibrosis gene (CF...Figure 17.2 Receiver operating characteristic (ROCs) curves of five submissi...
18 Chapter 18Figure 18.1 Relationships between observation, data, information, and knowledg...Figure 18.2 Types of variables and their hierarchical relationships.Figure 18.3 Organization of an example dataset. (a) Part of a two-dimensional ...Figure 18.4 Commonly used descriptive statistics for sample variables. Light b...Figure 18.5 Covariance versus correlation. The red sample has higher sample va...Figure 18.6 Example histogram demonstrating the frequency of black cherry tree...Figure 18.7 Example boxplot and related variant graphs. (a) Schematic diagram ...Figure 18.8 Anscombe's quartet. Scatterplots with regression lines for four fa...Figure 18.9 Scatterplot of the first two principal components (PCs) from princ...Figure 18.10 Example of how to make a graph descriptive.Figure 18.11 The standard normal distribution.Figure 18.12 Other well-described discrete and continuous distributions common...Figure 18.13 Bond length and coordination angle histograms for coordinated met...Figure 18.14 Overview of the process of statistical inference. FUV stands for ...Figure 18.15 Truth table with descriptions of type I and II errors.Figure 18.16 Diagram illustrating the relationships between a probability dens...Figure 18.17 Using a Student's t-test to test a null hypothesis.Figure 18.18 Relationship between population and sample mean distributions..Figure 18.19 An approximate power analysis diagram for a Student's t-test.
19 AppendicesFigure 6.A.1 Pseudo-computer code for the fill order of V(i,j) and W(i,j). Thi...Figure 6.A.2 The filled V(i,j) array for sequence GCGGGUACCGAUCGUCGC.Figure 6.A.3 The filled W(i,j) array for sequence GCGGGUACCGAUCGUCGC.Figure 6.A.4 Illustrations of maximum hydrogen bond conformations as found by ...Figure 6.A.5 Flowchart for structure traceback. Traceback starts by placing